 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_150_STD_B3LYPDBJ-def2TZVPDr.in
 Output=23_tartaric_acid_150_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/23_tartaric_acid_150_STD/Gau-74221.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/23_tartaric_acid_150_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     74222.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_150_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:12:04 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_150_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.596150000000     -0.609276000000     -0.011079000000
  O                                                 1.257326000000     -1.762731000000      0.145721000000
  O                                                 2.831361000000     -0.202064000000      0.214747000000
  C                                                 0.617545000000      0.467428000000     -0.461680000000
  C                                                -0.633255000000      0.485066000000      0.462956000000
  C                                                -1.719874000000     -0.496691000000     -0.007213000000
  O                                                -2.823722000000     -0.072777000000     -0.249294000000
  O                                                 1.278067000000      1.713093000000     -0.432141000000
  O                                                -1.162976000000      1.785444000000      0.460059000000
  O                                                -1.391913000000     -1.767297000000     -0.127310000000
  H                                                 0.312245000000      0.226360000000     -1.487600000000
  H                                                -0.333287000000      0.217346000000      1.482353000000
  H                                                -0.419035000000     -1.910789000000      0.023248000000
  H                                                 2.849430000000      0.766125000000      0.077766000000
  H                                                 0.603319000000      2.381880000000     -0.229208000000
  H                                                -2.081215000000      1.690573000000      0.141279000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul 22 18:12:05 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257326   -1.762731    0.145721
      3          8           0        2.831361   -0.202064    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072777   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391913   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419035   -1.910789    0.023248
     14          1           0        2.849430    0.766125    0.077766
     15          1           0        0.603319    2.381880   -0.229208
     16          1           0       -2.081215    1.690573    0.141279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.212372   0.000000
     3  O    1.320063   2.217664   0.000000
     4  C    1.523155   2.398305   2.409721   0.000000
     5  C    2.528347   2.954239   3.540808   1.555559   0.000000
     6  C    3.317937   3.238822   4.566159   2.568967   1.538066
     7  O    4.458682   4.434742   5.675563   3.489878   2.369944
     8  O    2.381568   3.523593   2.549316   1.410264   2.441803
     9  O    3.683671   4.306532   4.468232   2.399380   1.404135
    10  O    3.206718   2.663275   4.516968   3.023859   2.448901
    11  H    2.127631   2.741787   3.070420   1.097194   2.183018
    12  H    2.576115   2.870077   3.434782   2.178506   1.095822
    13  H    2.399184   1.687337   3.677157   2.639237   2.445272
    14  H    1.862883   2.989068   0.977998   2.315498   3.515176
    15  H    3.159163   4.212612   3.440644   1.928567   2.367722
    16  H    4.339992   4.803247   5.265062   3.023731   1.911364
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.206974   0.000000
     8  O    3.748514   4.477437   0.000000
     9  O    2.395124   2.591186   2.599990   0.000000
    10  O    1.317733   2.221791   4.397139   3.608238   0.000000
    11  H    2.616076   3.384845   2.063294   2.898344   2.954524
    12  H    2.156682   3.047136   2.915306   2.047535   2.765956
    13  H    1.921662   3.038929   4.027413   3.795575   0.994861
    14  H    4.741357   5.744160   1.904189   4.157471   4.944621
    15  H    3.705763   4.215490   0.971464   1.987617   4.605106
    16  H    2.221878   1.952759   3.407946   0.976619   3.536120
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.039311   0.000000
    13  H    2.717506   2.581724   0.000000
    14  H    3.029691   3.521890   4.225128   0.000000
    15  H    2.512875   2.914083   4.419949   2.783866   0.000000
    16  H    3.244352   2.650307   3.968196   5.016961   2.796764
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.81D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257327   -1.762731    0.145721
      3          8           0        2.831361   -0.202063    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072778   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391912   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419034   -1.910789    0.023248
     14          1           0        2.849430    0.766126    0.077766
     15          1           0        0.603318    2.381880   -0.229208
     16          1           0       -2.081215    1.690572    0.141279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0846324           1.0823921           0.7513491
 Leave Link  202 at Thu Jul 22 18:12:05 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 6 1.00
     Exponent=  2.7032382631D+04 Coefficients=  2.1726302465D-04
     Exponent=  4.0523871392D+03 Coefficients=  1.6838662199D-03
     Exponent=  9.2232722710D+02 Coefficients=  8.7395616265D-03
     Exponent=  2.6124070989D+02 Coefficients=  3.5239968808D-02
     Exponent=  8.5354641351D+01 Coefficients=  1.1153519115D-01
     Exponent=  3.1035035245D+01 Coefficients=  2.5588953961D-01
 S 2 1.00
     Exponent=  1.2260860728D+01 Coefficients=  3.9768730901D-01
     Exponent=  4.9987076005D+00 Coefficients=  2.4627849430D-01
 S 1 1.00
     Exponent=  1.1703108158D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6474740994D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8504536357D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.0288026270D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  6.3274954801D+01 Coefficients=  6.0685103418D-03
     Exponent=  1.4627049379D+01 Coefficients=  4.1912575824D-02
     Exponent=  4.4501223456D+00 Coefficients=  1.6153841088D-01
     Exponent=  1.5275799647D+00 Coefficients=  3.5706951311D-01
 P 1 1.00
     Exponent=  5.2935117943D-01 Coefficients=  4.4794207502D-01
 P 1 1.00
     Exponent=  1.7478421270D-01 Coefficients=  2.4446069663D-01
 P 1 1.00
     Exponent=  5.1112745706D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3140000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.4500000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4696477366D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.4280000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   502 symmetry adapted cartesian basis functions of A   symmetry.
 There are   442 symmetry adapted basis functions of A   symmetry.
   442 basis functions,   664 primitive gaussians,   502 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       582.5656445576 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0254798199 Hartrees.
 Nuclear repulsion after empirical dispersion term =      582.5401647376 Hartrees.
 Leave Link  301 at Thu Jul 22 18:12:06 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   442 RedAO= T EigKep=  2.27D-06  NBF=   442
 NBsUse=   442 1.00D-06 EigRej= -1.00D+00 NBFU=   442
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   500   500   500   500   500 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul 22 18:12:06 2021, MaxMem=  5637144576 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:12:06 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_150_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:12:07 2021, MaxMem=  5637144576 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636632264 LenY=  5636379758
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 950000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.695153955104    
 DIIS: error= 2.39D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.695153955104     IErMin= 1 ErrMin= 2.39D-03
 ErrMax= 2.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.63D-03 BMatP= 5.63D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.39D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.267 Goal=   None    Shift=    0.000
 GapD=    0.267 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.37D-03 MaxDP=6.77D-01              OVMax= 1.95D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.37D-03    CP:  9.72D-01
 E= -607.699987402825     Delta-E=       -0.004833447721 Rises=F Damp=F
 DIIS: error= 1.40D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.699987402825     IErMin= 2 ErrMin= 1.40D-04
 ErrMax= 1.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.32D-05 BMatP= 5.63D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.40D-03
 Coeff-Com: -0.125D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.125D-01 0.101D+01
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.93D-04 MaxDP=4.64D-02 DE=-4.83D-03 OVMax= 1.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.55D-04    CP:  9.73D-01  1.04D+00
 E= -607.699994263254     Delta-E=       -0.000006860429 Rises=F Damp=F
 DIIS: error= 1.70D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -607.699994263254     IErMin= 2 ErrMin= 1.40D-04
 ErrMax= 1.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-05 BMatP= 3.32D-05
 IDIUse=3 WtCom= 4.34D-01 WtEn= 5.66D-01
 Coeff-Com: -0.106D-01 0.561D+00 0.450D+00
 Coeff-En:   0.000D+00 0.433D+00 0.567D+00
 Coeff:     -0.460D-02 0.489D+00 0.516D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.04D-05 MaxDP=1.23D-03 DE=-6.86D-06 OVMax= 9.74D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.93D-05    CP:  9.74D-01  1.04D+00  9.89D-01
 E= -607.700021578646     Delta-E=       -0.000027315393 Rises=F Damp=F
 DIIS: error= 6.80D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.700021578646     IErMin= 4 ErrMin= 6.80D-05
 ErrMax= 6.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.66D-06 BMatP= 3.32D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.397D-02 0.183D+00 0.295D+00 0.527D+00
 Coeff:     -0.397D-02 0.183D+00 0.295D+00 0.527D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=7.22D-06 MaxDP=7.90D-04 DE=-2.73D-05 OVMax= 3.45D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.35D-06    CP:  9.74D-01  1.04D+00  1.01D+00  8.86D-01
 E= -607.700025118815     Delta-E=       -0.000003540169 Rises=F Damp=F
 DIIS: error= 1.69D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.700025118815     IErMin= 5 ErrMin= 1.69D-05
 ErrMax= 1.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-07 BMatP= 5.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.428D-03 0.673D-02 0.850D-01 0.293D+00 0.615D+00
 Coeff:     -0.428D-03 0.673D-02 0.850D-01 0.293D+00 0.615D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.44D-06 MaxDP=2.39D-04 DE=-3.54D-06 OVMax= 1.70D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.78D-06    CP:  9.74D-01  1.04D+00  1.01D+00  9.17D-01  8.12D-01
 E= -607.700025351509     Delta-E=       -0.000000232694 Rises=F Damp=F
 DIIS: error= 6.76D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.700025351509     IErMin= 6 ErrMin= 6.76D-06
 ErrMax= 6.76D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-08 BMatP= 3.44D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.961D-05-0.954D-02 0.354D-01 0.158D+00 0.411D+00 0.405D+00
 Coeff:      0.961D-05-0.954D-02 0.354D-01 0.158D+00 0.411D+00 0.405D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=6.33D-07 MaxDP=4.05D-05 DE=-2.33D-07 OVMax= 8.69D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.63D-07    CP:  9.74D-01  1.04D+00  1.01D+00  9.13D-01  8.17D-01
                    CP:  9.20D-01
 E= -607.700025403055     Delta-E=       -0.000000051546 Rises=F Damp=F
 DIIS: error= 1.44D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.700025403055     IErMin= 7 ErrMin= 1.44D-06
 ErrMax= 1.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-09 BMatP= 7.52D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.495D-04-0.582D-02 0.966D-02 0.505D-01 0.145D+00 0.213D+00
 Coeff-Com:  0.588D+00
 Coeff:      0.495D-04-0.582D-02 0.966D-02 0.505D-01 0.145D+00 0.213D+00
 Coeff:      0.588D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.53D-07 MaxDP=1.87D-05 DE=-5.15D-08 OVMax= 1.44D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.17D-07    CP:  9.74D-01  1.04D+00  1.01D+00  9.09D-01  8.31D-01
                    CP:  9.13D-01  9.99D-01
 E= -607.700025405100     Delta-E=       -0.000000002045 Rises=F Damp=F
 DIIS: error= 2.79D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.700025405100     IErMin= 8 ErrMin= 2.79D-07
 ErrMax= 2.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-10 BMatP= 2.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.207D-04-0.209D-02 0.283D-02 0.151D-01 0.448D-01 0.738D-01
 Coeff-Com:  0.250D+00 0.616D+00
 Coeff:      0.207D-04-0.209D-02 0.283D-02 0.151D-01 0.448D-01 0.738D-01
 Coeff:      0.250D+00 0.616D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=5.04D-08 MaxDP=3.71D-06 DE=-2.05D-09 OVMax= 2.43D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.89D-08    CP:  9.74D-01  1.04D+00  1.01D+00  9.09D-01  8.28D-01
                    CP:  9.25D-01  1.02D+00  9.48D-01
 E= -607.700025405184     Delta-E=       -0.000000000084 Rises=F Damp=F
 DIIS: error= 1.43D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.700025405184     IErMin= 9 ErrMin= 1.43D-07
 ErrMax= 1.43D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-11 BMatP= 1.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.406D-05-0.275D-03 0.125D-03 0.554D-03 0.272D-02 0.881D-02
 Coeff-Com:  0.518D-01 0.369D+00 0.568D+00
 Coeff:      0.406D-05-0.275D-03 0.125D-03 0.554D-03 0.272D-02 0.881D-02
 Coeff:      0.518D-01 0.369D+00 0.568D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.53D-08 MaxDP=9.67D-07 DE=-8.37D-11 OVMax= 1.07D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  9.74D-01  1.04D+00  1.01D+00  9.09D-01  8.28D-01
                    CP:  9.28D-01  1.03D+00  9.59D-01  9.18D-01
 E= -607.700025405181     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 3.88D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -607.700025405184     IErMin=10 ErrMin= 3.88D-08
 ErrMax= 3.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-12 BMatP= 3.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-05-0.301D-04-0.997D-04-0.612D-03-0.103D-02 0.688D-03
 Coeff-Com:  0.144D-01 0.169D+00 0.319D+00 0.498D+00
 Coeff:      0.105D-05-0.301D-04-0.997D-04-0.612D-03-0.103D-02 0.688D-03
 Coeff:      0.144D-01 0.169D+00 0.319D+00 0.498D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=4.35D-09 MaxDP=3.27D-07 DE= 3.18D-12 OVMax= 3.36D-07

 SCF Done:  E(RB3LYP) =  -607.700025405     A.U. after   10 cycles
            NFock= 10  Conv=0.43D-08     -V/T= 2.0044
 KE= 6.050468550061D+02 PE=-2.593205237145D+03 EE= 7.979181919962D+02
 Leave Link  502 at Thu Jul 22 18:14:45 2021, MaxMem=  5637144576 cpu:            1257.8 elap:             157.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   442
 NBasis=   442 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    442 NOA=    39 NOB=    39 NVA=   403 NVB=   403

 **** Warning!!: The largest alpha MO coefficient is  0.13312880D+03

 Leave Link  801 at Thu Jul 22 18:14:45 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4895 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.62D-13 8.33D-09 XBig12= 1.00D+00 3.05D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.62D-13 8.33D-09 XBig12= 4.08D-01 9.17D-02.
     11 vectors produced by pass  2 Test12= 2.62D-13 8.33D-09 XBig12= 8.70D-02 6.62D-02.
     11 vectors produced by pass  3 Test12= 2.62D-13 8.33D-09 XBig12= 1.08D-02 1.50D-02.
     11 vectors produced by pass  4 Test12= 2.62D-13 8.33D-09 XBig12= 7.68D-04 4.28D-03.
     11 vectors produced by pass  5 Test12= 2.62D-13 8.33D-09 XBig12= 2.34D-05 9.58D-04.
     11 vectors produced by pass  6 Test12= 2.62D-13 8.33D-09 XBig12= 3.79D-07 8.14D-05.
     11 vectors produced by pass  7 Test12= 2.62D-13 8.33D-09 XBig12= 7.54D-09 1.19D-05.
     11 vectors produced by pass  8 Test12= 2.62D-13 8.33D-09 XBig12= 1.01D-10 9.95D-07.
      8 vectors produced by pass  9 Test12= 2.62D-13 8.33D-09 XBig12= 1.12D-12 1.49D-07.
      1 vectors produced by pass 10 Test12= 2.62D-13 8.33D-09 XBig12= 9.70D-15 1.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.891159D+02
      2  0.762530D-01  0.797913D+02
      3  0.253414D+01 -0.493387D+00  0.544090D+02
 Isotropic polarizability for W=    0.088559       74.44 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.107647D+02  0.203846D+02 -0.411748D+01
      2   0.475595D+01 -0.111283D+02  0.344622D+01
      3   0.600880D+01 -0.925630D+01  0.671264D+00
      4   0.182828D+02 -0.345268D+01 -0.117769D+02
      5  -0.402094D+01 -0.961385D+01 -0.340716D+01
      6  -0.840386D+01  0.507296D+00  0.894689D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.466216D+01 -0.808095D+00 -0.546254D+01
      2  -0.160336D+01 -0.528469D+01 -0.338845D+01
      3  -0.137883D+02 -0.592920D+00  0.129499D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.216308D+01 -0.293892D+01 -0.182032D+02
      2  -0.965391D-01 -0.337306D+01 -0.941596D+01
      3  -0.210177D+01  0.820863D+01  0.120998D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.145408D+01  0.223431D+00  0.227459D+01
      2   0.223431D+00  0.213531D+01  0.844425D+00
      3   0.227459D+01  0.844425D+00 -0.876680D-02
 OR G Eigenvalues:    -3.1378     1.0557     2.7545  Iso=    -0.2242
 Eigenvectors:
   (1)   0.799304   0.061853  -0.597736
   (2)   0.511290  -0.592640   0.622382
   (3)   0.315746   0.803089   0.505324
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2242 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -75.73 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   97903 ScalPx= 7.24D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.01D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.37D-14 2.78D-09 XBig12= 1.00D+00 4.57D-01.
     30 vectors produced by pass  1 Test12= 4.37D-14 2.78D-09 XBig12= 3.80D-02 7.45D-02.
     30 vectors produced by pass  2 Test12= 4.37D-14 2.78D-09 XBig12= 1.85D-03 8.19D-03.
     30 vectors produced by pass  3 Test12= 4.37D-14 2.78D-09 XBig12= 3.82D-05 1.02D-03.
     30 vectors produced by pass  4 Test12= 4.37D-14 2.78D-09 XBig12= 3.54D-07 7.02D-05.
     30 vectors produced by pass  5 Test12= 4.37D-14 2.78D-09 XBig12= 2.39D-09 4.16D-06.
     30 vectors produced by pass  6 Test12= 4.37D-14 2.78D-09 XBig12= 8.31D-12 2.27D-07.
      7 vectors produced by pass  7 Test12= 4.37D-14 2.78D-09 XBig12= 1.77D-14 1.49D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   217 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97903 ScalPx= 1.73D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   97903 ScalPx= 1.73D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   97903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.54D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.891159D+02  0.762530D-01  0.253414D+01
      2   0.762530D-01  0.797913D+02 -0.493387D+00
      3   0.253414D+01 -0.493387D+00  0.544090D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466216D+01 -0.808095D+00 -0.546254D+01
      2  -0.160336D+01 -0.528469D+01 -0.338845D+01
      3  -0.137883D+02 -0.592920D+00  0.129499D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107647D+02  0.203846D+02 -0.411748D+01
      2   0.475595D+01 -0.111283D+02  0.344622D+01
      3   0.600880D+01 -0.925630D+01  0.671264D+00
      4   0.182828D+02 -0.345268D+01 -0.117769D+02
      5  -0.402094D+01 -0.961385D+01 -0.340716D+01
      6  -0.840386D+01  0.507296D+00  0.894689D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.273321D+01 -0.987042D+00 -0.100005D+00  0.275377D+01  0.111555D+01
      2  -0.987042D+00  0.248991D+01 -0.336094D+00  0.111555D+01  0.549791D+01
      3  -0.100005D+00 -0.336094D+00  0.594575D+00 -0.344532D+00 -0.374573D+00
                 6             7             8             9            10 
      1  -0.344532D+00 -0.236854D+01  0.631579D+00  0.395524D+00 -0.240509D+01
      2  -0.374573D+00  0.631579D+00 -0.977839D+00 -0.211990D+00 -0.186326D+01
      3  -0.133992D+00  0.395524D+00 -0.211990D+00 -0.786263D+00  0.237904D+00
                11            12            13            14            15 
      1  -0.186326D+01  0.237904D+00 -0.613705D+01  0.201229D+00 -0.607889D-02
      2  -0.972457D+00  0.111845D+00  0.201229D+00 -0.119576D+02  0.676974D+00
      3   0.111845D+00 -0.508990D+00 -0.607889D-02  0.676974D+00 -0.195185D+01
                16            17            18            19            20 
      1   0.109451D+01 -0.419846D-01 -0.234240D+00  0.969823D+01  0.171023D+00
      2  -0.419846D-01  0.913494D+00 -0.262473D+01  0.171023D+00  0.512407D+00
      3  -0.234240D+00 -0.262473D+01  0.934932D+00  0.559005D+00  0.175416D+00
                21            22            23            24            25 
      1   0.559005D+00 -0.189579D+01  0.952112D+00 -0.158559D+00  0.213095D+01
      2   0.175416D+00  0.952112D+00 -0.363304D+01  0.722928D+00 -0.259637D+00
      3   0.114753D+01 -0.158559D+00  0.722928D+00 -0.107740D+00  0.232768D+01
                26            27            28            29            30 
      1  -0.259637D+00  0.232768D+01  0.605509D+01 -0.120016D+01 -0.641712D+00
      2   0.925196D+00  0.408381D+00 -0.120016D+01 -0.598404D+00  0.455040D+00
      3   0.408381D+00  0.966301D+00 -0.641712D+00  0.455040D+00  0.236289D+01
                31            32            33            34            35 
      1  -0.111224D+01 -0.204398D+01  0.100223D+01 -0.291502D+01  0.765901D+00
      2  -0.204398D+01 -0.143044D+01  0.382637D+00  0.765901D+00  0.204058D+00
      3   0.100223D+01  0.382637D+00  0.184356D+01  0.287339D+01  0.518364D+00
                36            37            38            39            40 
      1   0.287339D+01 -0.608585D+01  0.187632D+01  0.545324D+00 -0.168749D+00
      2   0.518364D+00  0.187632D+01  0.109140D+01  0.590835D+00  0.197016D+01
      3   0.505203D+01  0.545324D+00  0.590835D+00 -0.219878D+01  0.112101D+01
                41            42            43            44            45 
      1   0.197016D+01  0.112101D+01  0.310110D+01 -0.110961D+00 -0.281631D+01
      2  -0.124225D+00 -0.202086D+00 -0.110961D+00  0.353343D+00  0.137860D+01
      3  -0.202086D+00  0.197854D+01 -0.281631D+01  0.137860D+01 -0.488043D+01
                46            47            48            49            50 
      1   0.751551D+01 -0.231278D+01  0.915142D+00 -0.529210D+01 -0.144374D+01
      2  -0.231278D+01  0.115248D+01 -0.722097D-01 -0.144374D+01  0.435628D+00
      3   0.915142D+00 -0.722097D-01  0.667961D+00 -0.938467D+00 -0.197955D+00
                51            52            53            54            55 
      1  -0.938467D+00  0.180185D+01 -0.113329D+00  0.225555D+00 -0.153332D+02
      2  -0.197955D+00 -0.113329D+00  0.751518D+00 -0.772863D+00  0.173118D+01
      3  -0.145315D+01  0.225555D+00 -0.772863D+00  0.847176D+00 -0.128512D+01
                56            57            58            59            60 
      1   0.173118D+01 -0.128512D+01  0.292866D+01 -0.215050D+01  0.381462D+00
      2  -0.395075D+01  0.535885D-01 -0.215050D+01  0.220435D+01 -0.284433D+00
      3   0.535885D-01 -0.233794D+01  0.381462D+00 -0.284433D+00  0.108717D+01
                61            62            63            64            65 
      1  -0.227747D+01  0.165782D+00 -0.342098D+01  0.512914D+01  0.124474D+01
      2   0.165782D+00 -0.100703D+01  0.712072D+00  0.124474D+01  0.433094D+01
      3  -0.342098D+01  0.712072D+00 -0.170573D+01 -0.698694D+00 -0.564466D+00
                66            67            68            69            70 
      1  -0.698694D+00  0.178019D+00  0.299769D+01 -0.378398D+00 -0.688334D+00
      2  -0.564466D+00  0.299769D+01  0.253420D+01 -0.110318D+01 -0.569407D-01
      3   0.461179D+00 -0.378398D+00 -0.110318D+01 -0.328177D+00  0.700947D+00
                71            72            73            74            75 
      1  -0.569407D-01  0.700947D+00  0.280175D+01  0.111243D+01  0.660705D+00
      2  -0.121038D+01  0.125080D+01  0.111243D+01  0.198722D+01 -0.232465D+00
      3   0.125080D+01 -0.716650D+00  0.660705D+00 -0.232465D+00  0.101962D+01
                76            77            78            79            80 
      1   0.168590D+01 -0.861182D+00 -0.768459D+00  0.147263D+01 -0.498014D+00
      2  -0.861182D+00  0.616603D+01  0.136628D+01 -0.498014D+00  0.196691D+01
      3  -0.768459D+00  0.136628D+01  0.463528D+00 -0.394975D+00  0.159297D+01
                81            82            83            84            85 
      1  -0.394975D+00 -0.852244D+01 -0.133061D+01 -0.739058D+00  0.121356D+01
      2   0.159297D+01 -0.133061D+01 -0.161098D+01 -0.653195D-01 -0.603940D+00
      3   0.113661D+01 -0.739058D+00 -0.653195D-01 -0.238687D+00  0.434041D+00
                86            87            88            89            90 
      1  -0.603940D+00  0.434041D+00 -0.138907D+01  0.606734D-01 -0.156616D-01
      2  -0.759266D+01 -0.291102D+00  0.606734D-01 -0.793509D+00 -0.198260D+01
      3  -0.291102D+00 -0.906138D+00 -0.156616D-01 -0.198260D+01 -0.504130D+00
                91            92            93            94            95 
      1  -0.202091D+01 -0.240314D+00 -0.118824D+01 -0.367532D+00  0.184598D+00
      2  -0.240314D+00 -0.372712D+00 -0.835961D-01  0.184598D+00 -0.499362D+00
      3  -0.118824D+01 -0.835961D-01 -0.182063D+01 -0.287677D+00 -0.125370D+01
                96            97            98            99           100 
      1  -0.287677D+00 -0.152417D+01 -0.418212D+00 -0.114497D+01  0.205259D+01
      2  -0.125370D+01 -0.418212D+00 -0.178492D+01 -0.600397D+00 -0.523378D+00
      3  -0.108180D+01 -0.114497D+01 -0.600397D+00 -0.772093D+01  0.121972D+01
               101           102           103           104           105 
      1  -0.523378D+00  0.121972D+01 -0.620525D+00 -0.155676D+00 -0.280667D+00
      2   0.993132D-01 -0.160637D+00 -0.155676D+00 -0.575575D+00  0.125735D+01
      3  -0.160637D+00  0.175795D+01 -0.280667D+00  0.125735D+01 -0.119388D+01
               106           107           108           109           110 
      1   0.154122D+01 -0.249085D+00  0.140066D+01  0.933275D+01 -0.577569D+00
      2  -0.249085D+00  0.160096D+01 -0.832115D+00 -0.577569D+00  0.142582D+01
      3   0.140066D+01 -0.832115D+00  0.761799D+01  0.465064D+00  0.211775D+00
               111           112           113           114           115 
      1   0.465064D+00 -0.690961D+00  0.363270D+00 -0.461186D-01  0.134913D+01
      2   0.211775D+00  0.363270D+00 -0.192595D+01  0.505850D-01 -0.102431D+00
      3   0.383189D+00 -0.461186D-01  0.505850D-01 -0.598362D+00  0.149667D-01
               116           117           118           119           120 
      1  -0.102431D+00  0.149667D-01  0.183682D+01  0.136638D+01 -0.129185D+00
      2   0.302725D+00 -0.587491D+00  0.136638D+01  0.734470D+00  0.122771D+00
      3  -0.587491D+00  0.773649D-01 -0.129185D+00  0.122771D+00  0.645978D+00
               121           122           123           124           125 
      1   0.409986D+01  0.122261D+01  0.501912D+00 -0.421483D+00  0.109614D+00
      2   0.122261D+01  0.479163D+01 -0.377244D+00  0.109614D+00 -0.430245D+00
      3   0.501912D+00 -0.377244D+00  0.809249D+00  0.689452D+00  0.486071D+00
               126           127           128           129           130 
      1   0.689452D+00 -0.232796D+01  0.598471D+00  0.608204D+00  0.240982D+01
      2   0.486071D+00  0.598471D+00 -0.249752D+01  0.827620D-01 -0.706514D+00
      3   0.136243D+00  0.608204D+00  0.827620D-01 -0.533980D+00 -0.284371D+00
               131           132           133           134           135 
      1  -0.706514D+00 -0.284371D+00  0.734208D+00 -0.452817D-01 -0.157643D-01
      2   0.567089D+01 -0.581420D-01 -0.452817D-01  0.592617D+00  0.844229D+00
      3  -0.581420D-01  0.123134D+01 -0.157643D-01  0.844229D+00 -0.483287D-01
               136           137           138           139           140 
      1  -0.499318D+01  0.934564D+00 -0.429062D+00  0.101535D+01 -0.104170D+01
      2   0.934564D+00 -0.382113D+01 -0.289246D+00 -0.104170D+01  0.438267D+00
      3  -0.429062D+00 -0.289246D+00 -0.140188D+01  0.526748D-01 -0.314343D+00
               141           142           143           144 
      1   0.526748D-01 -0.164151D+01  0.162328D+00 -0.585272D+00
      2  -0.314343D+00  0.162328D+00 -0.140689D+01  0.420700D+00
      3   0.341699D+00 -0.585272D+00  0.420700D+00 -0.406183D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127757D+00 -0.194163D+01  0.130612D+01 -0.394293D+01  0.272714D+01
      2   0.364418D+01 -0.321406D+01 -0.449509D+01 -0.538022D+01  0.531115D+00
      3   0.879684D+00 -0.423853D+01  0.244375D+01 -0.728036D+01 -0.722838D+01
                 6             7             8             9            10 
      1   0.792724D+01 -0.664579D+00  0.978652D+01 -0.286093D+01  0.258128D+00
      2  -0.857747D-02 -0.146827D+02  0.238811D+01 -0.466452D+01 -0.314442D+00
      3   0.204553D+01  0.523816D+01  0.316301D+01 -0.124109D+01  0.602168D+01
                11            12            13            14            15 
      1   0.423821D+00 -0.449537D+00 -0.855013D-01  0.473801D+00 -0.106617D+02
      2   0.681122D+00  0.319313D+01  0.880345D+00  0.975965D+00 -0.175075D+01
      3  -0.144164D+01 -0.107417D+01  0.180728D+02  0.182515D+02 -0.117523D+01
                16            17            18            19            20 
      1   0.154533D+01 -0.523764D+00  0.230320D+01  0.751326D+00  0.610263D+00
      2  -0.221262D+01 -0.549294D+01  0.217382D+01  0.103399D+01  0.695186D+00
      3  -0.303031D+01 -0.135188D+01  0.524271D+01 -0.308011D+01 -0.882439D+01
                21            22            23            24            25 
      1  -0.507555D+00  0.836323D+00 -0.185227D+01 -0.203251D+01  0.195968D+01
      2   0.893813D+01  0.115335D+01  0.215256D+01 -0.143262D+01  0.527404D+01
      3  -0.760928D+00  0.416271D-02  0.159441D+02 -0.296041D+01 -0.130022D+01
                26            27            28            29            30 
      1   0.172470D+01  0.475361D+00  0.409370D+00  0.121575D+01  0.199077D+01
      2  -0.158029D+01  0.369418D+01 -0.329501D+01  0.100396D+01  0.350736D+01
      3  -0.455519D+01 -0.179176D+01  0.711726D+00 -0.354184D+01 -0.277008D-01
                31            32            33            34            35 
      1   0.353855D+01  0.288348D+00 -0.212529D+01 -0.244592D+01  0.265392D+01
      2   0.311771D+01 -0.436441D+00 -0.181090D+01 -0.332927D+01  0.119651D+01
      3   0.473054D+01  0.198981D+01 -0.120349D+01 -0.150521D+01 -0.317442D+00
                36            37            38            39            40 
      1  -0.189350D+01 -0.763273D+00  0.245808D+01 -0.157100D+01  0.114951D+01
      2   0.368411D+01 -0.196037D+01 -0.697740D+00  0.305564D+01 -0.268400D+01
      3  -0.242176D+00  0.126048D+01 -0.131469D+01 -0.267421D+00  0.625805D+01
                41            42            43            44            45 
      1  -0.114796D-01 -0.180087D+01  0.154589D+01  0.206296D+01  0.253297D+01
      2  -0.981150D+00  0.111855D+01 -0.398070D+01 -0.250972D+01  0.336208D+01
      3   0.861367D+00  0.637764D+00  0.240674D+01 -0.106851D+01  0.854420D+00
                46            47            48            49            50 
      1   0.363444D+00 -0.549435D+01 -0.197049D+01 -0.426911D+01 -0.304186D+01
      2   0.398303D+01  0.297283D+01 -0.860752D+01  0.510531D+01  0.205781D+01
      3  -0.504690D+01  0.904711D+01 -0.116691D+01  0.251617D+01 -0.383117D+01
                51            52            53            54            55 
      1   0.578060D+01  0.239946D+01  0.131480D+02  0.242568D+01 -0.132354D+01
      2   0.282263D+01 -0.140446D+02 -0.260936D+01 -0.558408D+01  0.642443D+00
      3   0.188362D+01 -0.244215D+01  0.626438D+01 -0.850581D+00  0.943854D+01
                56            57            58            59            60 
      1   0.250575D+01  0.849338D+00  0.124525D+01 -0.400776D+00 -0.360801D+01
      2  -0.624519D+00  0.139946D+02 -0.167397D+01 -0.165938D+00 -0.227954D+01
      3  -0.213753D+02  0.621550D+00 -0.216180D+01  0.988643D+01 -0.760771D+00
                61            62            63            64            65 
      1  -0.284331D+01  0.147814D+01 -0.997498D+00  0.198479D+01 -0.221955D+01
      2   0.526878D+01  0.984384D+00  0.538492D+01  0.182560D+01 -0.491141D-01
      3   0.107188D+01 -0.484731D+01  0.341146D+01  0.142006D+02 -0.105791D+02
                66            67            68            69            70 
      1  -0.338308D+01 -0.270541D+01 -0.692921D+00 -0.344181D+01 -0.132412D+01
      2   0.386355D+01 -0.161659D+00 -0.341058D+00  0.210584D+01 -0.200374D+01
      3  -0.178660D+01 -0.382292D+01  0.230269D+01  0.206421D+01 -0.374547D+01
                71            72            73            74            75 
      1   0.334468D+01  0.103098D+01 -0.130540D+01 -0.782846D+00 -0.806472D+00
      2   0.115890D+01 -0.112014D+01 -0.175728D+01 -0.174247D+01  0.117425D+01
      3   0.189327D+01  0.984633D-02  0.130801D+02  0.717181D+01  0.286222D+01
                76            77            78            79            80 
      1  -0.833513D-01  0.295738D+01 -0.598650D+01 -0.157291D+00  0.147596D+01
      2  -0.669462D+00 -0.726118D+00 -0.224824D+01 -0.325282D+01 -0.172480D+00
      3   0.874838D+01  0.762700D+01  0.204351D+00  0.508598D+01  0.374723D+01
                81            82            83            84            85 
      1  -0.179383D+01 -0.158018D+01  0.138127D+01 -0.753489D+00  0.266880D+00
      2  -0.179382D+01 -0.323140D-02 -0.102331D+00  0.369474D+01 -0.129970D+01
      3   0.174956D+01  0.247179D+02 -0.687567D+01  0.174726D+01  0.431807D+01
                86            87            88            89            90 
      1  -0.336385D+00 -0.769167D+01 -0.212067D+01 -0.239872D+01 -0.179956D+01
      2   0.131283D+00  0.127598D+00 -0.920211D+00  0.437362D+01  0.141886D+01
      3  -0.871038D+01 -0.959268D+00  0.500053D+01 -0.226738D+01 -0.341284D+01
                91            92            93            94            95 
      1   0.101189D+01  0.921109D+00  0.682103D+00  0.893006D+00  0.750089D+00
      2  -0.224738D+01 -0.588501D+00 -0.551159D+00 -0.138811D+01 -0.121894D+01
      3  -0.645860D+00 -0.205301D+00 -0.288238D+00  0.111547D+01  0.230339D+00
                96            97            98            99           100 
      1   0.604671D+00  0.721506D+00  0.345958D+01  0.225485D+01 -0.104393D+01
      2  -0.637502D+00 -0.345175D+01 -0.361533D+00 -0.450175D+01 -0.206440D+01
      3   0.840585D+00 -0.243543D+00  0.485671D+00 -0.216214D+00  0.121992D+00
               101           102           103           104           105 
      1   0.731744D+00 -0.819596D+00  0.723062D+00 -0.136334D+01  0.558149D+00
      2   0.475088D+00 -0.497975D+00  0.140461D+01 -0.849362D+00  0.623225D+00
      3  -0.889254D+00  0.320534D+00  0.892970D+00 -0.804449D+00  0.745615D+00
               106           107           108           109           110 
      1  -0.981232D+00  0.320294D+01 -0.279975D+01  0.142276D+01 -0.521286D+00
      2  -0.388511D+01  0.888004D+00 -0.430699D+01  0.253726D+00 -0.286420D+00
      3  -0.300247D+00  0.219798D+00 -0.238592D+00 -0.301786D+02  0.810850D+01
               111           112           113           114           115 
      1   0.108859D+01 -0.561864D+00  0.631033D-01 -0.680379D+00  0.526103D+00
      2  -0.300429D+01  0.147409D-01 -0.599596D-01  0.316842D+00 -0.293613D+01
      3  -0.139813D+01  0.504971D+01 -0.240032D+01  0.216983D+00 -0.421981D+01
               116           117           118           119           120 
      1   0.351736D+00  0.279769D+00  0.516381D+00 -0.456185D+00 -0.860242D+00
      2   0.445545D+00 -0.211776D+00 -0.245315D+00 -0.406036D-01  0.745311D+00
      3   0.116663D+01 -0.326753D+00 -0.487936D+01 -0.679623D+00 -0.620836D+00
               121           122           123           124           125 
      1   0.760902D-02  0.228285D+01 -0.529158D+00  0.935192D-01  0.101518D+01
      2   0.863198D+00 -0.184614D+01  0.337364D+01  0.333581D+00  0.205520D+01
      3  -0.123999D+01 -0.217149D+02  0.229993D+01 -0.164397D+00  0.274096D+01
               126           127           128           129           130 
      1  -0.286708D+00 -0.321102D+01  0.155791D+01  0.201957D+01  0.149265D+01
      2  -0.348170D+00 -0.109371D+01  0.252223D+00 -0.750202D+00  0.628385D+00
      3  -0.125430D+01 -0.125075D+02  0.579970D+01  0.288005D+01  0.100113D+02
               131           132           133           134           135 
      1  -0.243983D+01 -0.313781D+01  0.303318D+00 -0.137726D+01 -0.611131D+00
      2  -0.329008D+00  0.693754D+00 -0.120623D+01  0.549934D+00  0.820302D+00
      3  -0.950526D+01 -0.123374D+01  0.391860D+01 -0.168827D+01 -0.992587D+00
               136           137           138           139           140 
      1   0.238150D+01 -0.389857D+00  0.318497D+01  0.228617D+00  0.843227D+00
      2   0.286488D+01  0.101828D+01  0.294392D+01  0.894715D-01  0.110538D+01
      3  -0.141324D+02 -0.100580D+02 -0.323737D+01 -0.265463D+01 -0.286091D+01
               141           142           143           144 
      1  -0.379395D+00  0.148045D+01  0.491668D+00  0.149304D+01
      2  -0.101396D+01  0.471544D+00 -0.135142D+01  0.726150D+00
      3  -0.137885D+01 -0.577055D+01 -0.358496D+01 -0.701099D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.227720D+02  0.684590D+00 -0.829926D+00 -0.290341D+01  0.235981D+02
      2   0.139011D+02 -0.401194D+01  0.251285D+01  0.200416D+01 -0.305068D+02
      3   0.887091D+01  0.332735D+01 -0.168293D+01  0.899249D+00  0.690865D+01
      4  -0.706223D+01  0.206251D+01 -0.136071D+01 -0.531839D+01  0.103186D+02
      5  -0.253867D+01 -0.237341D+01 -0.756946D+01 -0.894684D-01  0.500635D+00
      6   0.329348D+00 -0.170266D+00 -0.481802D+01  0.106862D+00  0.167649D+01
                 6             7             8             9            10 
      1  -0.336502D+01 -0.946658D+01 -0.534054D+01 -0.293686D+01 -0.141464D+01
      2   0.155692D+00  0.672645D+01  0.419507D+01 -0.634477D+01  0.549155D+01
      3   0.320933D+01  0.274013D+01  0.114547D+01  0.928162D+01 -0.407691D+01
      4  -0.998810D+00  0.517969D+00 -0.182274D+01 -0.122639D+01 -0.396122D+01
      5  -0.206246D+01  0.324421D+01  0.842029D+00 -0.493886D+01  0.107751D+00
      6  -0.919295D+01 -0.655839D+00  0.215623D+01  0.361845D+01 -0.974637D+00
                11            12            13            14            15 
      1  -0.832236D+01  0.920646D+00 -0.130444D+02 -0.351951D+02  0.143771D+01
      2   0.708454D+01 -0.898833D+00  0.719437D+01  0.537380D+02 -0.894983D+00
      3   0.123782D+01 -0.218124D-01  0.584999D+01 -0.185429D+02 -0.542731D+00
      4   0.154328D+02 -0.722837D+00  0.163676D+02 -0.291023D+02  0.140846D+01
      5  -0.145580D+00  0.500294D+01 -0.159998D+01 -0.171620D+00 -0.425427D+01
      6  -0.526551D+00  0.135101D+01 -0.871152D+00 -0.288082D+01  0.158489D+02
                16            17            18            19            20 
      1   0.281904D+01  0.383504D+01 -0.950411D+01  0.683235D+02  0.140292D+01
      2  -0.244727D+01 -0.270856D+01  0.691341D+01 -0.410485D+02 -0.789681D+00
      3  -0.371765D+00 -0.112648D+01  0.259069D+01 -0.272750D+02 -0.613244D+00
      4  -0.121806D+01  0.153231D+01 -0.771858D+01  0.841360D+00  0.977362D+01
      5   0.394372D+01 -0.860223D+01  0.251395D+01  0.490652D+01  0.164814D+01
      6   0.173250D+00  0.139727D+02 -0.422224D+01  0.868988D+00  0.460391D+00
                21            22            23            24            25 
      1   0.291406D+01 -0.793876D+01  0.390774D+01 -0.462088D+00  0.806675D+01
      2  -0.274103D+01  0.385105D+01 -0.603322D+00  0.779638D+00 -0.722641D+01
      3  -0.173027D+00  0.408771D+01 -0.330442D+01 -0.317550D+00 -0.840334D+00
      4   0.127406D+01  0.117368D+02 -0.168894D+02  0.352909D+01  0.188551D+01
      5   0.173276D+02 -0.254870D+00  0.357787D+01 -0.578786D+00  0.196941D+02
      6   0.130134D+01  0.161156D+00  0.902462D-01  0.415685D+01 -0.148006D+01
                26            27            28            29            30 
      1   0.147081D+01  0.102533D+02  0.213914D+00  0.560495D+01  0.139280D+01
      2  -0.927051D-01 -0.112220D+02  0.166118D+01 -0.571763D+01  0.402484D+01
      3  -0.137810D+01  0.968713D+00 -0.187509D+01  0.112677D+00 -0.541764D+01
      4   0.373762D+01 -0.530123D+00 -0.295223D+01 -0.319099D+01  0.186017D+00
      5   0.121298D+01  0.756215D+01 -0.121392D+01  0.196687D+01  0.401936D+00
      6   0.374972D+01 -0.304658D+00 -0.116221D+01  0.169426D+01 -0.374549D+01
                31            32            33            34            35 
      1   0.158712D+01 -0.841254D+00  0.429271D+01  0.280067D+01  0.240409D+01
      2   0.236478D+00 -0.233500D+01  0.337043D+01  0.337934D+01 -0.503148D+00
      3  -0.182360D+01  0.317625D+01 -0.766314D+01 -0.618001D+01 -0.190095D+01
      4  -0.951352D+01 -0.899845D+01  0.230999D+01 -0.128252D+01  0.349187D+01
      5   0.161484D+01  0.166677D+01 -0.391539D+01  0.166149D+01  0.232799D+01
      6   0.196378D+01  0.193478D+01 -0.474534D+01  0.360170D+01  0.123556D+01
                36            37            38            39            40 
      1   0.839876D+01  0.135817D+01 -0.680699D+01  0.273796D+01 -0.153434D+00
      2   0.809369D+01 -0.127849D+01  0.471269D+01  0.198498D+01 -0.245159D+01
      3  -0.164925D+02 -0.796821D-01  0.209430D+01 -0.472294D+01  0.260502D+01
      4   0.570456D+01  0.752152D+00 -0.366133D+01 -0.363155D+00 -0.837528D+01
      5   0.827549D+00 -0.150764D+00 -0.134538D+01 -0.239576D+00 -0.139078D+01
      6  -0.858860D+00  0.952874D+00  0.588845D+00  0.443991D+01  0.338938D+01
                41            42            43            44            45 
      1  -0.124136D+00 -0.398429D+01  0.560196D+01 -0.277297D+01  0.857861D+01
      2  -0.342191D+01 -0.334596D+01  0.239364D+01 -0.148686D+01  0.681334D+01
      3   0.354604D+01  0.733025D+01 -0.799560D+01  0.425983D+01 -0.153920D+02
      4   0.230353D+01  0.287364D+01 -0.371289D+00  0.210270D+01 -0.652486D+01
      5   0.506466D+00  0.381029D+01  0.122219D+01 -0.287220D+01  0.583219D+00
      6  -0.230929D+01 -0.481499D+01 -0.352103D+01  0.180660D+01  0.522450D+00
                46            47            48            49            50 
      1  -0.480206D+02  0.289135D+01 -0.312778D+01  0.220418D+02  0.168876D+02
      2   0.314271D+02  0.203771D+01  0.554779D+01 -0.134236D+02 -0.200283D+02
      3   0.165935D+02 -0.492906D+01 -0.242001D+01 -0.861815D+01  0.314069D+01
      4   0.847372D+01 -0.121460D+02  0.260319D+00  0.400189D+01  0.298450D+01
      5  -0.614274D+01  0.127295D+01 -0.137629D+02  0.363624D+01  0.149897D+01
      6   0.257336D+00 -0.463473D+00  0.476492D+01  0.204734D+01 -0.538844D-01
                51            52            53            54            55 
      1   0.447725D+01 -0.116726D+02  0.474872D+01 -0.679584D+01  0.984719D+02
      2  -0.130086D+01  0.862740D+01 -0.233390D+01 -0.256865D+01 -0.589902D+02
      3  -0.317638D+01  0.304522D+01 -0.241482D+01  0.936449D+01 -0.394817D+02
      4   0.125624D+01  0.203898D+01 -0.402113D+01  0.262696D+01 -0.513550D+01
      5   0.668120D+01  0.156907D+01  0.127768D+01 -0.713894D+01  0.945335D+01
      6  -0.806255D+01  0.122559D+00  0.266812D+01 -0.227938D+01 -0.101160D+01
                56            57            58            59            60 
      1  -0.905571D+01  0.555630D+01 -0.133936D+02  0.757522D+01 -0.189093D+01
      2   0.626916D+01 -0.554127D+01  0.941536D+01 -0.723509D+00  0.152971D+01
      3   0.278655D+01 -0.150325D-01  0.397822D+01 -0.685171D+01  0.361212D+00
      4   0.254961D+02 -0.460918D+00  0.183813D+02 -0.757890D+01  0.230189D+01
      5  -0.133497D+01  0.247191D+02 -0.247373D+01  0.217144D+01 -0.545071D+01
      6   0.149423D+01 -0.148861D+01  0.111670D+01 -0.350097D-01  0.560464D+01
                61            62            63            64            65 
      1   0.102202D+02 -0.242196D+01  0.148400D+02  0.140452D+02 -0.103310D+02
      2  -0.938548D+01  0.148094D+01 -0.145822D+02 -0.654544D+01  0.180484D+02
      3  -0.834744D+00  0.941014D+00 -0.257762D+00 -0.749975D+01 -0.771739D+01
      4  -0.267559D+01  0.517053D+01 -0.148061D+01  0.167086D+02  0.156295D+02
      5   0.256670D+02 -0.298057D+01  0.118762D+02 -0.263125D+01 -0.168238D+01
      6   0.170588D+01  0.438560D+01  0.334569D+00 -0.327330D+01 -0.370602D+01
                66            67            68            69            70 
      1   0.559807D+00 -0.612844D+01 -0.203652D+01  0.124338D+01 -0.653549D+00
      2  -0.111799D+01  0.941376D+01  0.837197D+01 -0.355726D+01  0.161004D+01
      3   0.558179D+00 -0.328532D+01 -0.633545D+01  0.231387D+01 -0.956491D+00
      4  -0.323593D+01  0.147421D+02  0.193344D+02 -0.221104D+01 -0.171854D+01
      5   0.766199D+01 -0.106322D+01 -0.442642D+01  0.422906D+01  0.531751D+01
      6   0.549079D+01 -0.195025D+01 -0.523602D+01  0.988005D+01  0.337325D+01
                71            72            73            74            75 
      1   0.506968D+01 -0.426236D+01 -0.360041D+01 -0.243841D+01 -0.270113D+01
      2  -0.358286D+01 -0.532539D+00  0.304017D+01  0.206295D+01  0.527402D-01
      3  -0.148682D+01  0.479490D+01  0.560235D+00  0.375466D+00  0.264839D+01
      4  -0.292547D+01  0.458389D+01  0.414610D+01 -0.629957D+00  0.213279D+01
      5   0.308310D+01 -0.353076D+01 -0.227416D+01 -0.248372D-01  0.489968D+01
      6   0.763232D+01 -0.400087D+01  0.331189D+01 -0.102172D+01 -0.124597D+00
                76            77            78            79            80 
      1  -0.206065D+01 -0.188093D+02 -0.221936D+01 -0.207807D+01 -0.574591D+01
      2  -0.600111D+00  0.292033D+02  0.309803D+01  0.139974D+01  0.474538D+01
      3   0.266077D+01 -0.103940D+02 -0.878665D+00  0.678331D+00  0.100053D+01
      4   0.132911D+02 -0.191784D+02 -0.477312D+01  0.505432D+01 -0.619088D+01
      5   0.190697D+01 -0.393030D+01 -0.564141D+01  0.445478D+01 -0.325451D+01
      6  -0.370290D+01  0.784130D+01  0.125610D+02 -0.180792D+01  0.879867D+01
                81            82            83            84            85 
      1  -0.671064D+01  0.120690D+02  0.401335D+01  0.166104D+01 -0.378211D+01
      2   0.164480D+01 -0.382796D+01 -0.147182D+01 -0.153446D+01  0.349389D+01
      3   0.506585D+01 -0.824102D+01 -0.254153D+01 -0.126589D+00  0.288216D+00
      4  -0.341481D+01  0.206883D+02  0.207467D+02  0.148027D+01  0.800801D+01
      5  -0.402877D+01  0.127069D+01  0.265187D+00  0.700519D+01 -0.920672D+00
      6   0.575109D+01  0.324017D+01 -0.353362D+00  0.203313D+00 -0.217326D+01
                86            87            88            89            90 
      1  -0.254737D+02 -0.209856D+01  0.161441D+01 -0.294713D+01 -0.739137D+01
      2   0.395444D+02  0.123966D+01 -0.165099D+01  0.192559D+01  0.463998D+01
      3  -0.140708D+02  0.858908D+00  0.365851D-01  0.102154D+01  0.275139D+01
      4   0.198847D+02 -0.432815D+00  0.242408D+01  0.204892D+01  0.679202D+01
      5  -0.926545D+00  0.124336D+01  0.434582D+01  0.680577D+01  0.153758D+01
      6   0.107463D+01  0.134901D+02  0.138649D+00  0.122805D+02  0.278977D+01
                91            92            93            94            95 
      1  -0.178968D+01 -0.881979D+00 -0.332020D+01 -0.185293D+01 -0.279652D+01
      2  -0.372069D+01 -0.392462D+00 -0.229069D+01 -0.364581D+00 -0.862346D+00
      3   0.551037D+01  0.127444D+01  0.561089D+01  0.221751D+01  0.365886D+01
      4  -0.105006D+01  0.113324D+01 -0.793348D+00  0.249816D+01 -0.376776D+00
      5   0.168855D+01  0.223263D+00  0.503743D+01  0.461259D+00 -0.311263D+00
      6   0.308164D+00  0.722502D+00 -0.259486D+00  0.761132D+00  0.139825D+01
                96            97            98            99           100 
      1  -0.222973D+01 -0.343523D+01 -0.546134D+00 -0.186893D+02 -0.235079D+01
      2  -0.291695D+01 -0.301784D+01 -0.277972D+01 -0.157702D+02 -0.303020D+01
      3   0.514668D+01  0.645307D+01  0.332585D+01  0.344595D+02  0.538099D+01
      4  -0.952956D+00 -0.486920D+00 -0.287668D+01 -0.141602D+01  0.139233D+01
      5  -0.934429D-01  0.441322D+01 -0.292980D+00 -0.238098D+01  0.161514D+01
      6   0.579798D+01 -0.251020D+00  0.454773D+01 -0.732982D+00 -0.169067D+00
               101           102           103           104           105 
      1   0.137717D+01 -0.354456D+01  0.222792D+01 -0.252430D+01  0.255217D+01
      2   0.201839D+00 -0.194481D+01  0.318429D+00 -0.123704D+01  0.288452D+01
      3  -0.157901D+01  0.548936D+01 -0.254634D+01  0.376135D+01 -0.543669D+01
      4   0.198216D+01  0.833059D+00  0.243742D+01  0.106643D+01 -0.121319D+01
      5  -0.341380D+00  0.517000D+01 -0.604805D+00 -0.126940D+00  0.270473D+00
      6   0.849407D+00  0.114096D+00  0.825125D+00 -0.164837D+01  0.563587D+01
               106           107           108           109           110 
      1  -0.510836D+01  0.122367D+01 -0.191515D+02 -0.128677D+02  0.392961D+01
      2  -0.266574D+01  0.317724D+01 -0.145328D+02  0.644897D+01 -0.493791D+01
      3   0.777410D+01 -0.440091D+01  0.336842D+02  0.641877D+01  0.100830D+01
      4   0.935231D+00 -0.246173D+01  0.214735D+01 -0.167128D+02 -0.129051D+02
      5   0.424799D+01  0.231420D+00 -0.201269D+01 -0.113917D+01  0.110995D+00
      6   0.738257D+00  0.450869D+01  0.827622D+00 -0.263708D+01 -0.567047D+00
               111           112           113           114           115 
      1  -0.109716D+00  0.190924D+01 -0.656094D+01  0.755383D-01 -0.121406D+01
      2   0.127638D+00 -0.179028D+01  0.886056D+01 -0.183736D+00  0.613558D+00
      3  -0.179219D-01 -0.118958D+00 -0.229962D+01  0.108198D+00  0.600506D+00
      4  -0.977455D+00  0.117790D+01  0.189756D+01  0.106015D+00 -0.230011D+01
      5  -0.530661D+01  0.116374D+00 -0.343174D+00  0.609596D+00  0.232520D+00
      6  -0.135159D+01  0.141204D+00 -0.143214D+00  0.204259D+01 -0.333225D+00
               116           117           118           119           120 
      1   0.505438D+00 -0.265755D+01  0.804971D+01  0.668696D+01 -0.530498D+00
      2  -0.787007D+00  0.996479D+00 -0.303968D+01 -0.266639D+01  0.810002D+00
      3   0.281569D+00  0.166107D+01 -0.501002D+01 -0.402058D+01 -0.279505D+00
      4  -0.153034D+01  0.357689D+00  0.780965D+01  0.564818D+01  0.430121D-02
      5   0.736256D+00 -0.329924D+00 -0.892774D+00  0.924809D-01  0.210660D+01
      6   0.298252D+01 -0.367879D+00 -0.337398D+00  0.247525D+00  0.113654D+01
               121           122           123           124           125 
      1   0.212239D+02  0.404929D+01  0.175218D+01 -0.296981D+01 -0.114075D+00
      2  -0.116960D+02 -0.578241D+00 -0.184993D+01  0.176848D+01 -0.146078D-01
      3  -0.952793D+01 -0.347105D+01  0.977469D-01  0.120132D+01  0.128683D+00
      4   0.876161D+01  0.239574D+02 -0.109567D+01  0.282118D+00 -0.181735D+01
      5   0.228083D+01 -0.151603D+01  0.517691D+01  0.431207D+01  0.306272D+01
      6   0.132882D+01  0.938065D+00  0.441713D+00  0.806654D+00  0.178340D+01
               126           127           128           129           130 
      1   0.149602D+01 -0.522889D+01  0.867852D+01 -0.107605D+01  0.622112D+01
      2  -0.151163D+01  0.459729D+01 -0.120551D+02 -0.424964D+00 -0.575260D+01
      3   0.156066D-01  0.631607D+00  0.337663D+01  0.150101D+01 -0.468523D+00
      4   0.316857D+01 -0.575197D+01 -0.995951D+00  0.152123D+01  0.489464D+01
      5  -0.966341D-01  0.117453D+01 -0.760621D+00 -0.139894D+01 -0.110071D+01
      6   0.576071D+00  0.159227D+01  0.247941D+01 -0.193344D+01 -0.708214D+00
               131           132           133           134           135 
      1  -0.183631D+02  0.297998D+00  0.228902D+01 -0.208042D+01 -0.287051D+01
      2   0.275739D+02  0.634644D+00 -0.133533D+01  0.322566D+01  0.292306D+01
      3  -0.921084D+01 -0.932642D+00 -0.953689D+00 -0.114524D+01 -0.525571D-01
      4   0.463706D+01 -0.802172D+00  0.133293D+01  0.169653D+01  0.184493D+00
      5   0.645996D+00  0.187116D+01  0.104544D+01  0.743854D+00  0.136914D+01
      6  -0.203711D+01  0.481104D+01 -0.230288D+00  0.471590D+01  0.520997D-02
               136           137           138           139           140 
      1   0.143345D+02  0.266866D+01  0.287608D+01 -0.400424D+01  0.351261D+01
      2  -0.449675D+01 -0.842510D+01 -0.256231D+00  0.252926D+00 -0.607382D+00
      3  -0.983777D+01  0.575644D+01 -0.261985D+01  0.375132D+01 -0.290522D+01
      4  -0.181100D+02  0.154159D+02 -0.271093D+00  0.602459D+01 -0.418368D+01
      5  -0.698930D+00  0.193527D+01  0.335401D+01 -0.518286D+00  0.118414D+01
      6  -0.129575D+01 -0.172813D+01 -0.508067D+01  0.984164D-01 -0.110343D+01
               141           142           143           144 
      1   0.449965D+00  0.149678D+01  0.304061D+01  0.113066D+01
      2  -0.300494D+00 -0.478992D+00 -0.413160D+01 -0.123264D+01
      3  -0.149471D+00 -0.101779D+01  0.109099D+01  0.101984D+00
      4   0.122859D+01 -0.441810D+01  0.386583D+01 -0.325414D+01
      5  -0.189559D+01  0.374484D+01 -0.224507D+01  0.721955D+00
      6   0.954185D+00 -0.230456D+01  0.256693D+01 -0.215176D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 18:59:28 2021, MaxMem=  5637144576 cpu:           21409.3 elap:            2682.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.21620 -19.18829 -19.18398 -19.17185 -19.16549
 Alpha  occ. eigenvalues --  -19.14380 -10.35268 -10.33264 -10.28897 -10.28286
 Alpha  occ. eigenvalues --   -1.16035  -1.13426  -1.09638  -1.07478  -1.06834
 Alpha  occ. eigenvalues --   -1.04294  -0.81390  -0.71906  -0.66515  -0.63729
 Alpha  occ. eigenvalues --   -0.60949  -0.59220  -0.57096  -0.53002  -0.51081
 Alpha  occ. eigenvalues --   -0.50325  -0.48059  -0.46645  -0.45908  -0.45779
 Alpha  occ. eigenvalues --   -0.43017  -0.41789  -0.38422  -0.37477  -0.36080
 Alpha  occ. eigenvalues --   -0.34876  -0.32988  -0.32206  -0.31340
 Alpha virt. eigenvalues --   -0.04856  -0.02957  -0.02025   0.00392   0.00888
 Alpha virt. eigenvalues --    0.01190   0.04181   0.04728   0.04933   0.05850
 Alpha virt. eigenvalues --    0.06097   0.07390   0.08117   0.08362   0.09087
 Alpha virt. eigenvalues --    0.09283   0.09847   0.10848   0.11456   0.11956
 Alpha virt. eigenvalues --    0.12288   0.12818   0.13889   0.14909   0.15422
 Alpha virt. eigenvalues --    0.15781   0.16099   0.16589   0.17025   0.18583
 Alpha virt. eigenvalues --    0.18825   0.19451   0.20322   0.20657   0.20876
 Alpha virt. eigenvalues --    0.21789   0.22342   0.22787   0.22990   0.24042
 Alpha virt. eigenvalues --    0.24600   0.25442   0.25711   0.25898   0.26447
 Alpha virt. eigenvalues --    0.26693   0.27220   0.27583   0.28116   0.29040
 Alpha virt. eigenvalues --    0.29385   0.29937   0.30392   0.31461   0.31794
 Alpha virt. eigenvalues --    0.33146   0.33737   0.34030   0.35014   0.35455
 Alpha virt. eigenvalues --    0.36627   0.36962   0.37176   0.37519   0.38125
 Alpha virt. eigenvalues --    0.38367   0.39258   0.39623   0.40505   0.41032
 Alpha virt. eigenvalues --    0.41736   0.42270   0.43811   0.44724   0.44900
 Alpha virt. eigenvalues --    0.45527   0.46142   0.46397   0.46969   0.47323
 Alpha virt. eigenvalues --    0.48287   0.49395   0.49800   0.50508   0.51003
 Alpha virt. eigenvalues --    0.52867   0.53156   0.54131   0.54395   0.54844
 Alpha virt. eigenvalues --    0.55387   0.55921   0.56819   0.57536   0.58247
 Alpha virt. eigenvalues --    0.58646   0.58756   0.59287   0.60338   0.60657
 Alpha virt. eigenvalues --    0.61891   0.61927   0.62206   0.62457   0.62679
 Alpha virt. eigenvalues --    0.63989   0.64953   0.66443   0.67299   0.68697
 Alpha virt. eigenvalues --    0.68762   0.69411   0.70450   0.71007   0.71978
 Alpha virt. eigenvalues --    0.72404   0.72703   0.73858   0.74678   0.75060
 Alpha virt. eigenvalues --    0.76092   0.77704   0.78655   0.79889   0.81200
 Alpha virt. eigenvalues --    0.81358   0.82234   0.84209   0.84541   0.85366
 Alpha virt. eigenvalues --    0.85951   0.86290   0.87594   0.88806   0.90205
 Alpha virt. eigenvalues --    0.91645   0.92663   0.94212   0.95961   0.96174
 Alpha virt. eigenvalues --    0.96693   0.96853   0.98490   1.00527   1.01096
 Alpha virt. eigenvalues --    1.03179   1.04350   1.04615   1.06149   1.06851
 Alpha virt. eigenvalues --    1.06897   1.10393   1.11134   1.12760   1.13178
 Alpha virt. eigenvalues --    1.13781   1.16209   1.18024   1.19732   1.21371
 Alpha virt. eigenvalues --    1.22443   1.23926   1.24864   1.26369   1.26802
 Alpha virt. eigenvalues --    1.27830   1.29729   1.30321   1.31866   1.32806
 Alpha virt. eigenvalues --    1.34209   1.37034   1.41696   1.43350   1.45098
 Alpha virt. eigenvalues --    1.47704   1.49016   1.51772   1.55744   1.61837
 Alpha virt. eigenvalues --    1.64162   1.67939   1.68210   1.69195   1.70575
 Alpha virt. eigenvalues --    1.73238   1.73910   1.75610   1.76989   1.79397
 Alpha virt. eigenvalues --    1.81896   1.82832   1.83714   1.84549   1.85465
 Alpha virt. eigenvalues --    1.88441   1.90737   1.91878   1.92991   1.94985
 Alpha virt. eigenvalues --    1.95918   1.97513   1.97872   1.99958   2.02910
 Alpha virt. eigenvalues --    2.05307   2.08417   2.10567   2.12354   2.14059
 Alpha virt. eigenvalues --    2.14576   2.16306   2.18147   2.20214   2.21748
 Alpha virt. eigenvalues --    2.21860   2.23976   2.28697   2.30080   2.31550
 Alpha virt. eigenvalues --    2.31791   2.34924   2.37584   2.37921   2.40461
 Alpha virt. eigenvalues --    2.40979   2.42037   2.44138   2.47426   2.49268
 Alpha virt. eigenvalues --    2.52200   2.53100   2.57091   2.57708   2.58967
 Alpha virt. eigenvalues --    2.65263   2.68172   2.70373   2.71956   2.74183
 Alpha virt. eigenvalues --    2.76894   2.78251   2.80423   2.81681   2.85418
 Alpha virt. eigenvalues --    2.86180   2.87699   2.89713   2.90770   2.92787
 Alpha virt. eigenvalues --    2.94152   2.97751   2.99494   3.01863   3.02770
 Alpha virt. eigenvalues --    3.06967   3.08775   3.11295   3.11388   3.13061
 Alpha virt. eigenvalues --    3.13451   3.16704   3.18388   3.18637   3.19818
 Alpha virt. eigenvalues --    3.22562   3.23160   3.26815   3.30029   3.30976
 Alpha virt. eigenvalues --    3.32604   3.34111   3.37983   3.38426   3.39148
 Alpha virt. eigenvalues --    3.40694   3.43587   3.45244   3.47840   3.48848
 Alpha virt. eigenvalues --    3.49357   3.51379   3.53616   3.54171   3.54683
 Alpha virt. eigenvalues --    3.57405   3.60168   3.60452   3.62206   3.63997
 Alpha virt. eigenvalues --    3.65219   3.69852   3.74168   3.78339   3.81323
 Alpha virt. eigenvalues --    3.84528   3.90282   3.91383   3.93736   3.97637
 Alpha virt. eigenvalues --    4.01281   4.08720   4.13409   4.14116   4.17097
 Alpha virt. eigenvalues --    4.20842   4.24769   4.28926   4.32337   4.37097
 Alpha virt. eigenvalues --    4.48100   4.53013   4.57806   4.63152   4.74498
 Alpha virt. eigenvalues --    4.77229   4.80682   4.83158   4.96381   5.01466
 Alpha virt. eigenvalues --    5.02798   5.12725   5.14890   5.19393   5.22024
 Alpha virt. eigenvalues --    5.23360   5.24608   5.27552   5.29655   5.32479
 Alpha virt. eigenvalues --    5.35567   5.36818   5.38436   5.40150   5.43463
 Alpha virt. eigenvalues --    5.44871   5.47797   5.54190   5.55657   5.57723
 Alpha virt. eigenvalues --    5.62115   5.73004   5.74666   5.76419   5.83831
 Alpha virt. eigenvalues --    5.84266   5.87846   5.91729   5.95354   5.97944
 Alpha virt. eigenvalues --    6.00466   6.03943   6.04921   6.14279   6.18457
 Alpha virt. eigenvalues --    6.24229   6.26635   6.33358   6.34344   6.43748
 Alpha virt. eigenvalues --    6.44504   6.46529   6.47969   6.53854   6.55836
 Alpha virt. eigenvalues --    6.56344   6.57449   6.59484   6.70978   6.73426
 Alpha virt. eigenvalues --    6.74783   6.77042   6.78139   6.79384   6.80860
 Alpha virt. eigenvalues --    6.84875   6.87125   6.88291   6.90074   6.91830
 Alpha virt. eigenvalues --    6.94884   7.09308   7.12473   7.13674   7.17863
 Alpha virt. eigenvalues --    7.18284   7.20751   7.25170   7.26502   7.30661
 Alpha virt. eigenvalues --    7.36048   7.38157   7.44216  22.74465  22.75544
 Alpha virt. eigenvalues --   23.49508  23.55272  44.14970  44.21168  44.25288
 Alpha virt. eigenvalues --   44.28904  44.39214  44.44400
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.367792   0.197846   0.169778  -0.195378   0.103503   0.012600
     2  O    0.197846   8.625228  -0.119438  -0.033139   0.015058  -0.006002
     3  O    0.169778  -0.119438   8.290612  -0.032765   0.017795  -0.002181
     4  C   -0.195378  -0.033139  -0.032765   6.320674  -0.786541   0.317443
     5  C    0.103503   0.015058   0.017795  -0.786541   6.454403  -0.442895
     6  C    0.012600  -0.006002  -0.002181   0.317443  -0.442895   5.652252
     7  O    0.000148  -0.002138  -0.000171  -0.000464   0.079353   0.054771
     8  O    0.178933  -0.001165  -0.049593  -0.124046  -0.101316   0.028323
     9  O    0.022831  -0.003527   0.001191   0.106115  -0.046184  -0.101051
    10  O   -0.007694  -0.075685  -0.002520   0.000188  -0.043374   0.183991
    11  H   -0.208721   0.006719   0.014116   0.224470   0.090717  -0.093598
    12  H   -0.088770   0.017982   0.002238  -0.101129   0.306555  -0.026558
    13  H   -0.024195  -0.019027   0.003995   0.037587  -0.007782  -0.003639
    14  H    0.109749   0.013577   0.169464  -0.078407  -0.010534  -0.000349
    15  H   -0.020974  -0.002099   0.001749  -0.054328   0.023083  -0.036347
    16  H   -0.005118   0.000828  -0.000310  -0.011876   0.073706  -0.063531
               7          8          9         10         11         12
     1  C    0.000148   0.178933   0.022831  -0.007694  -0.208721  -0.088770
     2  O   -0.002138  -0.001165  -0.003527  -0.075685   0.006719   0.017982
     3  O   -0.000171  -0.049593   0.001191  -0.002520   0.014116   0.002238
     4  C   -0.000464  -0.124046   0.106115   0.000188   0.224470  -0.101129
     5  C    0.079353  -0.101316  -0.046184  -0.043374   0.090717   0.306555
     6  C    0.054771   0.028323  -0.101051   0.183991  -0.093598  -0.026558
     7  O    8.522654  -0.000003  -0.028173  -0.105473  -0.000953  -0.022209
     8  O   -0.000003   8.766318  -0.019499  -0.001109  -0.191338  -0.014478
     9  O   -0.028173  -0.019499   8.654489   0.004792  -0.020646  -0.178471
    10  O   -0.105473  -0.001109   0.004792   8.428480   0.006520  -0.017238
    11  H   -0.000953  -0.191338  -0.020646   0.006520   0.905772   0.041246
    12  H   -0.022209  -0.014478  -0.178471  -0.017238   0.041246   0.843069
    13  H    0.010620   0.000631  -0.003194   0.099736   0.000339   0.013366
    14  H    0.000016   0.094197   0.001616   0.000301  -0.025821  -0.003068
    15  H    0.001337   0.100850   0.080888   0.000893   0.032610   0.009205
    16  H    0.068522  -0.001170   0.194309   0.002939   0.010861   0.008173
              13         14         15         16
     1  C   -0.024195   0.109749  -0.020974  -0.005118
     2  O   -0.019027   0.013577  -0.002099   0.000828
     3  O    0.003995   0.169464   0.001749  -0.000310
     4  C    0.037587  -0.078407  -0.054328  -0.011876
     5  C   -0.007782  -0.010534   0.023083   0.073706
     6  C   -0.003639  -0.000349  -0.036347  -0.063531
     7  O    0.010620   0.000016   0.001337   0.068522
     8  O    0.000631   0.094197   0.100850  -0.001170
     9  O   -0.003194   0.001616   0.080888   0.194309
    10  O    0.099736   0.000301   0.000893   0.002939
    11  H    0.000339  -0.025821   0.032610   0.010861
    12  H    0.013366  -0.003068   0.009205   0.008173
    13  H    0.429505   0.000434  -0.001595  -0.000381
    14  H    0.000434   0.383399  -0.000442   0.000002
    15  H   -0.001595  -0.000442   0.551952   0.007775
    16  H   -0.000381   0.000002   0.007775   0.385881
 Mulliken charges:
               1
     1  C    0.387670
     2  O   -0.615019
     3  O   -0.463959
     4  C    0.411596
     5  C    0.274452
     6  C    0.526771
     7  O   -0.577837
     8  O   -0.665536
     9  O   -0.665486
    10  O   -0.474749
    11  H    0.207707
    12  H    0.210088
    13  H    0.463601
    14  H    0.345867
    15  H    0.305443
    16  H    0.329391
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.387670
     2  O   -0.615019
     3  O   -0.118092
     4  C    0.619302
     5  C    0.484540
     6  C    0.526771
     7  O   -0.577837
     8  O   -0.360093
     9  O   -0.336095
    10  O   -0.011148
 Electronic spatial extent (au):  <R**2>=           1426.4521
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0350    Y=              2.5777    Z=             -0.0230  Tot=              3.2843
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.1168   YY=            -61.6850   ZZ=            -55.9203
   XY=              1.1775   XZ=             -2.0102   YZ=             -0.5615
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2095   YY=              0.2224   ZZ=              5.9871
   XY=              1.1775   XZ=             -2.0102   YZ=             -0.5615
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.6328  YYY=             15.9971  ZZZ=             -0.0463  XYY=             -1.6614
  XXY=             21.7679  XXZ=              3.0375  XZZ=              0.5953  YZZ=             -2.1026
  YYZ=             -1.9985  XYZ=              6.1543
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1133.1940 YYYY=           -536.0278 ZZZZ=            -97.3480 XXXY=             10.0674
 XXXZ=            -19.6177 YYYX=              2.1056 YYYZ=             -5.9551 ZZZX=              1.1406
 ZZZY=             -0.4172 XXYY=           -271.0289 XXZZ=           -193.0026 YYZZ=           -114.5024
 XXYZ=              3.0084 YYXZ=              4.1872 ZZXY=              0.0345
 N-N= 5.825401647376D+02 E-N=-2.593205233667D+03  KE= 6.050468550061D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 18:59:28 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.93647824D-01 1.05583078D+00-1.16623924D-02
 Polarizability= 8.08764244D+01 1.14712420D-02 7.21132048D+01
                 2.28734473D+00-4.23094189D-01 4.78161568D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2667   -1.2671        0.0381    0.0381
 2      1.2667    1.2671        0.2471    0.2467       -4.6617   -4.6623
 3     -0.0381   -0.0381       17.3535   17.3534       -0.2471   -0.2467
 4     -0.2471   -0.2467       -0.0000    0.0000       -0.0375   -0.0381
 5    -12.6918  -12.6911        0.0375    0.0381       -1.2668   -1.2671
 6      0.2471    0.2467        1.2668    1.2671       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.8012    3.8012        0.1144    0.1144
 2     -0.7401   -0.7401       -0.0000    0.0000        0.1144    0.1144
 3     -0.7401   -0.7401        3.8012    3.8012        0.0000    0.0000
 4      3.8012    3.8012        0.7401    0.7401      -13.9870  -13.9870
 5     -0.1144   -0.1144       52.0603   52.0603       -0.7401   -0.7401
 6    -38.0733  -38.0733        0.1144    0.1144       -3.8012   -3.8012
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0245    0.0000        5.0465    5.0683       -0.1666   -0.1525
 2     -5.0203   -5.0683       -0.9754   -0.9868       18.7090   18.6493
 3      0.1611    0.1525      -69.4737  -69.4137        0.9998    0.9868
 4      0.9836    0.9868       -0.0027    0.0000        0.1477    0.1525
 5     50.7780   50.7644       -0.1867   -0.1525        5.0883    5.0683
 6     -1.0103   -0.9868       -5.0639   -5.0683       -0.0178    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0010    0.0000      -19.2139  -19.2508        2.3933    2.4115
 2     19.2724   19.2508       -3.9084   -3.9814       19.9575   19.8937
 3     -2.4115   -2.4115       -6.8558   -6.7343        4.1378    3.9814
 4      3.9888    3.9814        0.1022    0.0000       -2.3930   -2.4115
 5    -13.1731  -13.1594        2.3145    2.4115      -19.2547  -19.2508
 6     -3.9886   -3.9814       19.1374   19.2508        0.0104    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.2512   -1.2528       -9.3512   -9.3360       -4.5000   -4.5282
 2     -0.0301   -0.0455      -29.4956  -29.6409       -4.5186   -4.5282
 3     -0.0354   -0.0455       -9.2517   -9.3360       -7.5679   -7.5637
 4     20.3293   20.3050       -1.1384   -1.2073       11.0764   11.0723
 5     -3.0360   -3.0355       -2.0525   -1.9062        1.3178    1.2073
 6     -9.2329   -9.1661        2.9164    3.0355      -20.3419  -20.3050
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.8870   -3.1437   -0.0005    0.0006    0.0007    1.1840
 Low frequencies ---   72.1256   87.7194  114.5635
 Diagonal vibrational polarizability:
       43.8185514      27.4081734      31.0639178
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     72.1253                87.7193               114.5634
 Red. masses --      9.0905                 9.3887                11.3872
 Frc consts  --      0.0279                 0.0426                 0.0881
 IR Inten    --      0.2035                 2.2821                 2.7739
 RamAct Fr= 1--      0.4111                 0.1177                 0.7725
  Dep-P Fr= 1--      0.7495                 0.5318                 0.7500
  Dep-U Fr= 1--      0.8568                 0.6944                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0587                 0.0136                 0.1104
 AlphaG Fr= 1--     -0.0001                -0.0003                -0.0000
 Gamma2 Fr= 1--     -0.0749                 0.1093                 0.3300
 Delta2 Fr= 1--     -0.0466                 0.0948                 0.2324
 Raman1 Fr= 1--       1.644                  0.471                  3.090
 ROA1   Fr= 1--      -8.682                 13.526                 39.122
 CID1   Fr= 1--      -5.280                 28.738                 12.660
 Raman2 Fr= 1--       0.704                  0.163                  1.324
 ROA2   Fr= 1--      -1.425                  1.864                  6.061
 CID2   Fr= 1--      -2.022                 11.409                  4.577
 Raman3 Fr= 1--       1.409                  0.327                  2.649
 ROA3   Fr= 1--      -8.682                 13.526                 39.122
 CID3   Fr= 1--      -6.162                 41.388                 14.770
 RC180  Fr= 1--       0.714                  0.389                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.07    -0.02  -0.00  -0.11
     2   8     0.04  -0.06  -0.29    -0.04  -0.02  -0.24     0.05  -0.05  -0.37
     3   8    -0.12   0.08   0.47     0.03  -0.12  -0.07    -0.09   0.07   0.18
     4   6     0.02  -0.03  -0.11     0.05   0.11   0.08    -0.03   0.01  -0.05
     5   6     0.05   0.02  -0.07    -0.04   0.11  -0.09     0.03  -0.02   0.06
     6   6    -0.00   0.00   0.06     0.00  -0.04   0.06     0.03   0.00   0.03
     7   8    -0.07  -0.02   0.34    -0.05  -0.13   0.11     0.16   0.08  -0.40
     8   8     0.02  -0.03  -0.18     0.15   0.06   0.39    -0.05   0.02  -0.07
     9   8     0.06   0.02  -0.11    -0.13   0.08  -0.39     0.03  -0.02   0.17
    10   8     0.02   0.03  -0.13     0.03  -0.04   0.22    -0.10  -0.08   0.50
    11   1     0.01  -0.09  -0.09     0.13   0.33   0.00    -0.10   0.02  -0.03
    12   1     0.09   0.06  -0.07    -0.12   0.31  -0.01     0.10  -0.05   0.02
    13   1     0.04   0.01  -0.29     0.07   0.02   0.05    -0.08  -0.09   0.33
    14   1    -0.17   0.09   0.51     0.09  -0.10   0.10    -0.15   0.09   0.27
    15   1     0.03  -0.02  -0.18     0.13   0.13   0.09    -0.05  -0.02   0.09
    16   1    -0.00   0.00   0.10    -0.16  -0.08  -0.28     0.13   0.04  -0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    228.1123               238.8674               323.7049
 Red. masses --      8.6268                 7.1660                 5.2360
 Frc consts  --      0.2645                 0.2409                 0.3233
 IR Inten    --     21.3141                15.7689                19.5821
 RamAct Fr= 1--      0.1813                 0.8133                 0.5003
  Dep-P Fr= 1--      0.3532                 0.7477                 0.0907
  Dep-U Fr= 1--      0.5220                 0.8556                 0.1664
 Alpha2 Fr= 1--      0.0016                 0.0000                 0.0090
 Beta2  Fr= 1--      0.0158                 0.1160                 0.0139
 AlphaG Fr= 1--     -0.0007                 0.0007                -0.0072
 Gamma2 Fr= 1--      0.0295                -0.2554                 0.0635
 Delta2 Fr= 1--      0.0468                -0.1066                 0.0265
 Raman1 Fr= 1--       0.725                  3.253                  2.001
 ROA1   Fr= 1--       4.330                -27.930                  6.947
 CID1   Fr= 1--       5.972                 -8.586                  3.471
 Raman2 Fr= 1--       0.189                  1.392                  0.166
 ROA2   Fr= 1--       0.334                 -5.276                  1.313
 CID2   Fr= 1--       1.766                 -3.791                  7.889
 Raman3 Fr= 1--       0.379                  2.783                  0.333
 ROA3   Fr= 1--       4.330                -27.930                  6.947
 CID3   Fr= 1--      11.440                -10.034                 20.863
 RC180  Fr= 1--       0.044                  0.711                 -0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.20  -0.03  -0.02     0.05  -0.11   0.07     0.10   0.04   0.08
     2   8    -0.26  -0.02  -0.02     0.29  -0.21  -0.11    -0.02   0.06  -0.10
     3   8    -0.18  -0.17   0.02     0.02   0.09  -0.08     0.22  -0.22   0.06
     4   6    -0.10   0.08   0.02    -0.12  -0.16   0.22     0.07   0.05   0.14
     5   6     0.00   0.16   0.13    -0.13   0.09   0.19    -0.01   0.02   0.12
     6   6     0.19  -0.01   0.06    -0.04   0.11   0.07     0.02  -0.01   0.05
     7   8     0.16  -0.15  -0.06    -0.03   0.04  -0.08     0.06   0.09   0.01
     8   8     0.05  -0.00  -0.14    -0.12  -0.17   0.01    -0.09   0.12  -0.17
     9   8    -0.12   0.10   0.10    -0.05   0.14  -0.09    -0.21  -0.07  -0.04
    10   8     0.40   0.08  -0.04     0.11   0.16  -0.07    -0.09  -0.02  -0.04
    11   1    -0.24   0.07   0.06    -0.20  -0.27   0.26     0.03  -0.16   0.20
    12   1     0.08   0.24   0.13    -0.25   0.22   0.26    -0.07   0.10   0.16
    13   1     0.44   0.16   0.00     0.09   0.13   0.01    -0.09  -0.05  -0.06
    14   1    -0.05  -0.18  -0.01    -0.18   0.10  -0.02     0.48  -0.23   0.08
    15   1     0.17   0.10  -0.10    -0.12  -0.13  -0.16    -0.19   0.08  -0.34
    16   1    -0.08  -0.00  -0.01    -0.02   0.14  -0.18    -0.18  -0.31  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    333.7030               363.7008               417.4328
 Red. masses --      7.6208                 5.0553                 5.1811
 Frc consts  --      0.5000                 0.3940                 0.5319
 IR Inten    --     19.6766                 4.1529                12.1503
 RamAct Fr= 1--      3.2989                 0.2564                 0.9145
  Dep-P Fr= 1--      0.1849                 0.5631                 0.6000
  Dep-U Fr= 1--      0.3121                 0.7205                 0.7500
 Alpha2 Fr= 1--      0.0466                 0.0009                 0.0025
 Beta2  Fr= 1--      0.1716                 0.0308                 0.1143
 AlphaG Fr= 1--      0.0164                 0.0043                -0.0106
 Gamma2 Fr= 1--      0.0443                -0.0307                 0.2272
 Delta2 Fr= 1--      0.2010                -0.0249                 0.0940
 Raman1 Fr= 1--      13.196                  1.026                  3.658
 ROA1   Fr= 1--      10.689                 -3.749                 24.814
 CID1   Fr= 1--       0.810                 -3.655                  6.783
 Raman2 Fr= 1--       2.059                  0.369                  1.372
 ROA2   Fr= 1--      -0.544                 -0.539                  4.700
 CID2   Fr= 1--      -0.264                 -1.458                  3.426
 Raman3 Fr= 1--       4.119                  0.739                  2.743
 ROA3   Fr= 1--      10.689                 -3.749                 24.814
 CID3   Fr= 1--       2.595                 -5.074                  9.045
 RC180  Fr= 1--      -0.376                  0.441                  0.500
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.04    -0.02   0.01  -0.01    -0.03   0.11   0.06
     2   8    -0.09  -0.00   0.04     0.05  -0.01   0.01    -0.12   0.12  -0.09
     3   8    -0.15   0.10  -0.03    -0.07   0.15  -0.03     0.00   0.07  -0.03
     4   6    -0.07  -0.04   0.01    -0.01   0.02   0.02    -0.02   0.02   0.22
     5   6     0.15  -0.08   0.12     0.00   0.04   0.06    -0.01  -0.03   0.20
     6   6     0.19  -0.05   0.12     0.02  -0.02   0.03    -0.05  -0.10   0.04
     7   8     0.32   0.26   0.06     0.06   0.08   0.01    -0.02  -0.14  -0.07
     8   8    -0.20   0.01   0.13     0.34  -0.12  -0.05     0.09  -0.03  -0.05
     9   8     0.06  -0.13  -0.24    -0.26  -0.08   0.04     0.25   0.09  -0.08
    10   8    -0.04  -0.08  -0.10    -0.12  -0.05  -0.04    -0.10  -0.13  -0.07
    11   1    -0.17   0.03   0.02    -0.08   0.10   0.03    -0.16  -0.06   0.27
    12   1     0.22   0.14   0.15     0.03   0.07   0.06    -0.16   0.02   0.26
    13   1    -0.06  -0.21  -0.05    -0.14  -0.13  -0.01    -0.10  -0.14  -0.08
    14   1    -0.25   0.10  -0.05    -0.21   0.16  -0.07    -0.00   0.07  -0.02
    15   1    -0.35  -0.10  -0.00     0.57   0.15  -0.26     0.11   0.13  -0.55
    16   1     0.04  -0.36  -0.15    -0.25  -0.34   0.06     0.15   0.25   0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --    473.7899               517.7383               537.6214
 Red. masses --      1.3752                 3.3865                 1.9009
 Frc consts  --      0.1819                 0.5348                 0.3237
 IR Inten    --     28.1515                11.8291                80.1549
 RamAct Fr= 1--      1.1225                 4.4725                 1.5743
  Dep-P Fr= 1--      0.5501                 0.4364                 0.0781
  Dep-U Fr= 1--      0.7098                 0.6076                 0.1449
 Alpha2 Fr= 1--      0.0043                 0.0289                 0.0291
 Beta2  Fr= 1--      0.1328                 0.4529                 0.0380
 AlphaG Fr= 1--      0.0133                 0.0238                 0.0434
 Gamma2 Fr= 1--      0.5224                -2.2327                 0.0549
 Delta2 Fr= 1--      0.1105                -1.1837                -0.0450
 Raman1 Fr= 1--       4.490                 17.890                  6.297
 ROA1   Fr= 1--      53.690               -252.220                  3.828
 CID1   Fr= 1--      11.957                -14.098                  0.608
 Raman2 Fr= 1--       1.593                  5.435                  0.456
 ROA2   Fr= 1--      11.655                -44.116                  1.677
 CID2   Fr= 1--       7.314                 -8.117                  3.674
 Raman3 Fr= 1--       3.187                 10.871                  0.913
 ROA3   Fr= 1--      53.690               -252.220                  3.828
 CID3   Fr= 1--      16.847                -23.202                  4.194
 RC180  Fr= 1--       0.420                  0.215                 -0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.03    -0.05  -0.09   0.01    -0.03  -0.01   0.10
     2   8     0.01  -0.04   0.00     0.14  -0.14   0.06    -0.02  -0.04  -0.03
     3   8    -0.01   0.01  -0.02    -0.06  -0.06  -0.00    -0.03   0.02  -0.04
     4   6     0.02   0.02   0.04    -0.02   0.09  -0.03     0.02   0.02   0.11
     5   6     0.00   0.03   0.01     0.02   0.11  -0.05    -0.01  -0.04  -0.03
     6   6     0.01  -0.03   0.02     0.07  -0.03  -0.04     0.02   0.02  -0.11
     7   8     0.02  -0.02   0.02     0.07  -0.05   0.01    -0.01   0.04   0.02
     8   8     0.01   0.06  -0.07    -0.03   0.13   0.01     0.01   0.05  -0.07
     9   8    -0.00   0.05   0.00    -0.00   0.16   0.04     0.03  -0.06  -0.06
    10   8    -0.05  -0.05  -0.03    -0.11  -0.12  -0.03     0.04   0.02   0.06
    11   1     0.02   0.02   0.04     0.01   0.13  -0.05     0.09  -0.05   0.11
    12   1    -0.03   0.10   0.03     0.06   0.11  -0.06    -0.16  -0.19  -0.01
    13   1    -0.06  -0.10  -0.03    -0.15  -0.27  -0.01     0.07   0.07  -0.02
    14   1    -0.09   0.01  -0.01    -0.01  -0.06   0.00    -0.14   0.04   0.02
    15   1     0.15  -0.06   0.81    -0.16   0.15  -0.49     0.11   0.01   0.39
    16   1     0.15   0.13  -0.46    -0.19   0.10   0.60    -0.25  -0.15   0.75
                     13                     14                     15
                      A                      A                      A
 Frequencies --    589.8038               610.7104               671.8309
 Red. masses --      2.6964                 3.1956                 4.2171
 Frc consts  --      0.5526                 0.7022                 1.1215
 IR Inten    --     46.7171                21.8890                26.7278
 RamAct Fr= 1--      1.7184                 1.9072                 0.5159
  Dep-P Fr= 1--      0.2438                 0.6320                 0.6916
  Dep-U Fr= 1--      0.3921                 0.7745                 0.8177
 Alpha2 Fr= 1--      0.0207                 0.0041                 0.0005
 Beta2  Fr= 1--      0.1123                 0.2462                 0.0703
 AlphaG Fr= 1--     -0.0547                 0.0082                -0.0003
 Gamma2 Fr= 1--      1.3461                 1.2527                -0.5215
 Delta2 Fr= 1--      0.0731                 1.1414                -0.4006
 Raman1 Fr= 1--       6.873                  7.629                  2.064
 ROA1   Fr= 1--     131.568                156.783                -62.880
 CID1   Fr= 1--      19.141                 20.552                -30.472
 Raman2 Fr= 1--       1.347                  2.954                  0.844
 ROA2   Fr= 1--      31.722                 20.934                 -9.310
 CID2   Fr= 1--      23.542                  7.086                -11.035
 Raman3 Fr= 1--       2.695                  5.909                  1.687
 ROA3   Fr= 1--     131.568                156.783                -62.880
 CID3   Fr= 1--      48.819                 26.535                -37.265
 RC180  Fr= 1--      -0.216                  0.549                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.17    -0.05  -0.07   0.00    -0.08   0.11  -0.07
     2   8    -0.07  -0.02  -0.07     0.04  -0.12   0.03     0.17   0.06   0.03
     3   8    -0.00   0.06  -0.07    -0.11   0.01  -0.03    -0.06  -0.12   0.04
     4   6     0.06  -0.05   0.08     0.07   0.08   0.06    -0.17   0.09   0.05
     5   6    -0.02   0.02  -0.14     0.05  -0.07   0.06    -0.16  -0.08  -0.01
     6   6     0.08  -0.00  -0.14    -0.06   0.03   0.02    -0.03  -0.08  -0.14
     7   8     0.05   0.04   0.09    -0.09  -0.02  -0.02     0.01   0.18   0.08
     8   8    -0.02  -0.04   0.02     0.06   0.20  -0.03     0.04  -0.02  -0.02
     9   8    -0.03   0.04   0.09     0.05  -0.15  -0.01     0.05  -0.01  -0.01
    10   8     0.02  -0.05   0.04     0.02   0.09   0.01     0.10  -0.12   0.04
    11   1     0.29  -0.23   0.05     0.03   0.15   0.06    -0.31   0.19   0.06
    12   1    -0.15  -0.07  -0.13     0.01  -0.10   0.07    -0.36  -0.22   0.02
    13   1     0.04  -0.04  -0.10     0.01   0.10   0.08     0.16   0.05  -0.02
    14   1    -0.14   0.08   0.07    -0.14   0.00  -0.03     0.34  -0.18  -0.20
    15   1    -0.17  -0.03  -0.48    -0.13   0.17  -0.54     0.20   0.13  -0.04
    16   1     0.18   0.16  -0.56     0.25  -0.09  -0.60     0.14   0.22  -0.30
                     16                     17                     18
                      A                      A                      A
 Frequencies --    736.8360               753.8405               757.8937
 Red. masses --      1.2721                 3.9115                 6.0088
 Frc consts  --      0.4069                 1.3096                 2.0335
 IR Inten    --     89.1039                 1.5708                15.9919
 RamAct Fr= 1--      1.0780                 0.0572                 8.5000
  Dep-P Fr= 1--      0.2758                 0.7408                 0.0658
  Dep-U Fr= 1--      0.4324                 0.8511                 0.1234
 Alpha2 Fr= 1--      0.0119                 0.0000                 0.1617
 Beta2  Fr= 1--      0.0777                 0.0081                 0.1748
 AlphaG Fr= 1--      0.0561                -0.0009                -0.0457
 Gamma2 Fr= 1--      0.0268                -0.1096                 0.4984
 Delta2 Fr= 1--      0.1800                -0.0044                -0.1685
 Raman1 Fr= 1--       4.312                  0.229                 34.000
 ROA1   Fr= 1--       8.338                -10.662                 42.450
 CID1   Fr= 1--       1.934                -46.640                  1.249
 Raman2 Fr= 1--       0.932                  0.097                  2.098
 ROA2   Fr= 1--      -0.796                 -2.595                 13.309
 CID2   Fr= 1--      -0.854                -26.672                  6.345
 Raman3 Fr= 1--       1.864                  0.195                  4.195
 ROA3   Fr= 1--       8.338                -10.662                 42.450
 CID3   Fr= 1--       4.472                -54.801                 10.119
 RC180  Fr= 1--      -0.135                  0.702                 -0.753
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.11   0.10   0.28     0.18  -0.19  -0.15
     2   8     0.01   0.01   0.02     0.07   0.00  -0.09    -0.19  -0.11   0.02
     3   8     0.02  -0.03  -0.06    -0.05  -0.03  -0.03     0.10   0.14   0.07
     4   6    -0.01   0.00  -0.03     0.01   0.00  -0.09     0.11  -0.04   0.00
     5   6    -0.03  -0.01  -0.01    -0.01  -0.01  -0.11    -0.12  -0.03   0.02
     6   6    -0.05  -0.04   0.06    -0.13  -0.09   0.26    -0.16  -0.16   0.06
     7   8    -0.01   0.05  -0.01    -0.01   0.08  -0.07    -0.04   0.19  -0.01
     8   8     0.01   0.01  -0.01     0.02   0.01   0.02     0.02   0.11  -0.00
     9   8     0.01   0.01  -0.00     0.02  -0.02   0.01    -0.04   0.11   0.01
    10   8     0.04  -0.03  -0.01     0.06  -0.04  -0.06     0.16  -0.17  -0.01
    11   1     0.04  -0.00  -0.04     0.36  -0.17  -0.16     0.06   0.08  -0.01
    12   1     0.03   0.02  -0.02     0.33   0.16  -0.16    -0.15   0.06   0.05
    13   1     0.05   0.03   0.02     0.05   0.05   0.16     0.23   0.16   0.04
    14   1    -0.24   0.13   0.95     0.22  -0.12  -0.53    -0.18   0.07  -0.61
    15   1    -0.00   0.00  -0.03     0.04   0.02   0.04    -0.13   0.00  -0.13
    16   1    -0.01   0.04   0.03    -0.03   0.03   0.16    -0.09   0.17   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    894.4386               905.1655               936.4318
 Red. masses --      1.4505                 2.3246                 4.1013
 Frc consts  --      0.6837                 1.1221                 2.1190
 IR Inten    --     64.7487                30.8030                 0.6842
 RamAct Fr= 1--      1.0438                 0.4181                 2.9994
  Dep-P Fr= 1--      0.6750                 0.2743                 0.1942
  Dep-U Fr= 1--      0.8059                 0.4305                 0.3252
 Alpha2 Fr= 1--      0.0014                 0.0046                 0.0414
 Beta2  Fr= 1--      0.1402                 0.0300                 0.1626
 AlphaG Fr= 1--     -0.0161                -0.0110                 0.0402
 Gamma2 Fr= 1--      0.9317                 0.4807                -0.7064
 Delta2 Fr= 1--      0.5494                 0.3225                -0.0870
 Raman1 Fr= 1--       4.175                  1.672                 11.998
 ROA1   Fr= 1--     107.024                 56.467                -70.601
 CID1   Fr= 1--      25.634                 33.766                 -5.884
 Raman2 Fr= 1--       1.682                  0.360                  1.951
 ROA2   Fr= 1--      17.966                  8.956                -16.258
 CID2   Fr= 1--      10.679                 24.880                 -8.335
 Raman3 Fr= 1--       3.365                  0.720                  3.901
 ROA3   Fr= 1--     107.024                 56.467                -70.601
 CID3   Fr= 1--      31.806                 78.432                -18.096
 RC180  Fr= 1--       0.612                 -0.139                 -0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.02   0.05  -0.08    -0.01  -0.04   0.16
     2   8    -0.03  -0.02  -0.02     0.04   0.06  -0.01    -0.05  -0.08  -0.03
     3   8     0.05   0.02   0.01    -0.11  -0.04  -0.01     0.15   0.04   0.00
     4   6    -0.07   0.02   0.01     0.15  -0.06   0.06    -0.21   0.11  -0.10
     5   6    -0.09  -0.04  -0.06     0.12   0.05   0.05     0.22   0.11   0.09
     6   6     0.04   0.02   0.03    -0.05  -0.02  -0.09    -0.05  -0.02  -0.17
     7   8     0.05  -0.02   0.02    -0.08   0.04   0.01    -0.12   0.04   0.01
     8   8     0.01   0.02  -0.01    -0.02  -0.03   0.00    -0.04  -0.04   0.02
     9   8     0.02  -0.02  -0.00    -0.03   0.05   0.01     0.02  -0.03  -0.01
    10   8    -0.01   0.04  -0.04     0.04  -0.06  -0.03     0.05  -0.08   0.01
    11   1    -0.06   0.05  -0.00     0.15  -0.18   0.09    -0.39   0.21  -0.06
    12   1    -0.13  -0.09  -0.06     0.09   0.12   0.07     0.42   0.19   0.05
    13   1    -0.21  -0.16   0.91    -0.09  -0.04   0.83     0.03   0.05   0.31
    14   1    -0.02   0.02   0.01     0.05  -0.04   0.05    -0.07   0.06   0.01
    15   1     0.09   0.09  -0.03    -0.17  -0.19   0.07     0.21   0.21  -0.01
    16   1     0.01   0.14  -0.00    -0.03  -0.17   0.03     0.09  -0.32  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1020.2756              1127.1730              1137.4767
 Red. masses --      5.9687                 5.4793                 5.5608
 Frc consts  --      3.6607                 4.1016                 4.2391
 IR Inten    --     17.3205               176.5827                33.6898
 RamAct Fr= 1--      6.5409                 1.5376                 1.5638
  Dep-P Fr= 1--      0.2147                 0.7161                 0.7466
  Dep-U Fr= 1--      0.3535                 0.8346                 0.8549
 Alpha2 Fr= 1--      0.0854                 0.0009                 0.0001
 Beta2  Fr= 1--      0.3854                 0.2139                 0.2228
 AlphaG Fr= 1--      0.0602                 0.0152                 0.0033
 Gamma2 Fr= 1--     -0.7751                 0.6193                -0.0895
 Delta2 Fr= 1--      0.5760                 0.3419                -0.4779
 Raman1 Fr= 1--      26.163                  6.150                  6.255
 ROA1   Fr= 1--     -55.973                 70.397                -23.883
 CID1   Fr= 1--      -2.139                 11.446                 -3.818
 Raman2 Fr= 1--       4.624                  2.567                  2.674
 ROA2   Fr= 1--     -23.209                 12.129                  1.676
 CID2   Fr= 1--      -5.019                  4.726                  0.627
 Raman3 Fr= 1--       9.248                  5.133                  5.348
 ROA3   Fr= 1--     -55.973                 70.397                -23.883
 CID3   Fr= 1--      -6.052                 13.714                 -4.466
 RC180  Fr= 1--      -0.293                  0.669                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.17    -0.04  -0.01  -0.05    -0.05  -0.01   0.04
     2   8    -0.00   0.01   0.04    -0.01  -0.03   0.01    -0.00  -0.07   0.01
     3   8    -0.01   0.00   0.03     0.01   0.02   0.00     0.01   0.03  -0.01
     4   6    -0.10   0.11   0.38     0.16   0.13  -0.03     0.26   0.41  -0.04
     5   6     0.19   0.10  -0.37    -0.22   0.38   0.05     0.02  -0.18   0.05
     6   6    -0.07  -0.04   0.16     0.02   0.05  -0.02    -0.01  -0.03   0.05
     7   8    -0.02   0.01  -0.05    -0.01   0.01   0.00     0.01  -0.00  -0.00
     8   8    -0.09  -0.09  -0.04    -0.06  -0.10  -0.00    -0.12  -0.24  -0.04
     9   8     0.02  -0.05   0.04     0.11  -0.29   0.01    -0.04   0.10  -0.02
    10   8     0.01  -0.00  -0.02     0.01  -0.08  -0.01    -0.00   0.03  -0.00
    11   1    -0.09   0.10   0.37     0.26   0.02  -0.05     0.07   0.59  -0.05
    12   1     0.22   0.11  -0.37    -0.06   0.59   0.08    -0.26  -0.41   0.07
    13   1     0.05   0.07  -0.15     0.00  -0.07  -0.01    -0.01   0.04   0.05
    14   1    -0.04   0.00   0.01     0.07   0.01   0.03     0.07   0.03   0.05
    15   1     0.29   0.26  -0.05    -0.03  -0.08  -0.00     0.03  -0.09  -0.02
    16   1     0.04  -0.14  -0.00     0.01   0.40   0.14    -0.02  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1222.1990              1241.4673              1264.9717
 Red. masses --      1.4129                 1.6103                 1.4161
 Frc consts  --      1.2435                 1.4623                 1.3351
 IR Inten    --     68.1414                10.2251                 5.3623
 RamAct Fr= 1--      5.7831                 4.2379                 6.0034
  Dep-P Fr= 1--      0.5425                 0.5116                 0.1638
  Dep-U Fr= 1--      0.7034                 0.6769                 0.2816
 Alpha2 Fr= 1--      0.0230                 0.0198                 0.0896
 Beta2  Fr= 1--      0.6780                 0.4781                 0.2817
 AlphaG Fr= 1--      0.0116                 0.0100                -0.0316
 Gamma2 Fr= 1--      0.8974                -1.1872                 1.1886
 Delta2 Fr= 1--      0.4982                -0.7596                 0.4386
 Raman1 Fr= 1--      23.132                 16.952                 24.014
 ROA1   Fr= 1--     102.091               -138.280                128.145
 CID1   Fr= 1--       4.413                 -8.157                  5.336
 Raman2 Fr= 1--       8.136                  5.737                  3.381
 ROA2   Fr= 1--      17.552                -22.416                 25.018
 CID2   Fr= 1--       2.157                 -3.907                  7.401
 Raman3 Fr= 1--      16.272                 11.474                  6.761
 ROA3   Fr= 1--     102.091               -138.280                128.145
 CID3   Fr= 1--       6.274                -12.051                 18.953
 RC180  Fr= 1--       0.407                  0.354                 -0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02  -0.00    -0.08   0.02  -0.04    -0.10   0.01  -0.08
     2   8     0.01   0.04  -0.00    -0.01  -0.05   0.01    -0.02  -0.06   0.02
     3   8    -0.05  -0.05   0.00     0.04   0.04   0.01     0.04   0.05   0.01
     4   6    -0.03   0.04  -0.00    -0.02   0.01   0.05    -0.03   0.00   0.01
     5   6    -0.04  -0.04   0.06    -0.02  -0.10   0.01    -0.01   0.02   0.04
     6   6     0.00  -0.02  -0.04    -0.01  -0.09  -0.08     0.01   0.05   0.02
     7   8     0.01  -0.00   0.01     0.03  -0.00   0.02    -0.02   0.00  -0.01
     8   8    -0.05  -0.01   0.00     0.02  -0.00  -0.01    -0.01   0.01   0.01
     9   8     0.00   0.01  -0.01    -0.01   0.00   0.00     0.01   0.02  -0.01
    10   8    -0.01   0.02   0.00    -0.02   0.07   0.01     0.02  -0.03  -0.00
    11   1     0.52  -0.18  -0.12     0.19   0.00  -0.01     0.52  -0.39  -0.07
    12   1     0.28   0.10  -0.00     0.57   0.56  -0.01     0.02  -0.39  -0.07
    13   1    -0.00   0.08   0.02    -0.00   0.12  -0.00    -0.00  -0.14  -0.03
    14   1    -0.45  -0.03  -0.11     0.34   0.02   0.09     0.43   0.03   0.11
    15   1     0.40   0.42  -0.05    -0.12  -0.14   0.02     0.19   0.18   0.02
    16   1     0.01   0.05  -0.02    -0.04   0.32   0.05     0.04  -0.29  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.6459              1339.3920              1371.4172
 Red. masses --      2.5429                 1.1800                 1.1789
 Frc consts  --      2.5190                 1.2473                 1.3064
 IR Inten    --    120.8540               105.1891                72.3703
 RamAct Fr= 1--      5.9421                 2.8501                 4.7675
  Dep-P Fr= 1--      0.3659                 0.3286                 0.6120
  Dep-U Fr= 1--      0.5358                 0.4947                 0.7593
 Alpha2 Fr= 1--      0.0495                 0.0268                 0.0121
 Beta2  Fr= 1--      0.5306                 0.2350                 0.6033
 AlphaG Fr= 1--      0.0063                -0.0165                 0.0186
 Gamma2 Fr= 1--      0.0036                -1.8327                -0.0109
 Delta2 Fr= 1--      0.0022                -0.0382                -0.5228
 Raman1 Fr= 1--      23.769                 11.400                 19.070
 ROA1   Fr= 1--       0.417               -177.165                -17.771
 CID1   Fr= 1--       0.018                -15.540                 -0.932
 Raman2 Fr= 1--       6.367                  2.820                  7.240
 ROA2   Fr= 1--       0.069                -43.680                  3.922
 CID2   Fr= 1--       0.011                -15.491                  0.542
 Raman3 Fr= 1--      12.735                  5.639                 14.480
 ROA3   Fr= 1--       0.417               -177.165                -17.771
 CID3   Fr= 1--       0.033                -31.415                 -1.227
 RC180  Fr= 1--       0.072                 -0.011                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   8    -0.01   0.02  -0.00     0.01   0.03  -0.00    -0.01  -0.00  -0.00
     3   8    -0.00  -0.00  -0.00     0.02  -0.01   0.01    -0.02   0.01  -0.01
     4   6     0.01   0.00   0.02    -0.04  -0.03   0.06    -0.00  -0.09   0.00
     5   6     0.03  -0.13   0.00    -0.05   0.03   0.02     0.04  -0.03  -0.01
     6   6     0.07   0.27   0.04     0.01   0.02   0.00     0.00   0.02   0.01
     7   8    -0.08   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.02  -0.01  -0.03    -0.04   0.00  -0.01
     9   8    -0.06  -0.02  -0.02     0.01   0.01  -0.01     0.00  -0.00   0.02
    10   8     0.06  -0.13  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    11   1    -0.10   0.02   0.06     0.33   0.62  -0.19     0.26   0.54  -0.21
    12   1     0.37   0.08  -0.05     0.33  -0.26  -0.16    -0.40   0.37   0.22
    13   1    -0.03  -0.48  -0.07    -0.01  -0.11   0.00    -0.00  -0.02  -0.00
    14   1    -0.01  -0.00   0.00    -0.19  -0.01  -0.06     0.30   0.01   0.09
    15   1     0.06   0.06  -0.01    -0.26  -0.28  -0.01     0.25   0.26  -0.02
    16   1    -0.10   0.68   0.05     0.02  -0.21  -0.04     0.01  -0.05   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1385.3234              1409.8370              1430.0101
 Red. masses --      1.4176                 1.4493                 2.0953
 Frc consts  --      1.6029                 1.6972                 2.5245
 IR Inten    --    275.0836               122.6179               196.7509
 RamAct Fr= 1--      4.2735                 2.0482                 2.1013
  Dep-P Fr= 1--      0.3233                 0.3700                 0.4197
  Dep-U Fr= 1--      0.4887                 0.5402                 0.5912
 Alpha2 Fr= 1--      0.0408                 0.0168                 0.0145
 Beta2  Fr= 1--      0.3480                 0.1844                 0.2071
 AlphaG Fr= 1--     -0.0076                 0.0439                -0.0259
 Gamma2 Fr= 1--     -2.1159                 0.4489                -0.0204
 Delta2 Fr= 1--     -0.1837                 0.6718                 0.4076
 Raman1 Fr= 1--      17.094                  8.193                  8.405
 ROA1   Fr= 1--    -209.005                 64.588                 11.085
 CID1   Fr= 1--     -12.227                  7.884                  1.319
 Raman2 Fr= 1--       4.177                  2.213                  2.485
 ROA2   Fr= 1--     -49.312                  5.399                 -3.751
 CID2   Fr= 1--     -11.807                  2.440                 -1.510
 Raman3 Fr= 1--       8.353                  4.426                  4.969
 ROA3   Fr= 1--    -209.005                 64.588                 11.085
 CID3   Fr= 1--     -25.021                 14.594                  2.231
 RC180  Fr= 1--      -0.023                  0.080                  0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.00   0.04     0.08  -0.01   0.01     0.19  -0.03   0.03
     2   8    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
     3   8    -0.08   0.02  -0.03    -0.04   0.01  -0.01    -0.10   0.01  -0.02
     4   6     0.07  -0.06   0.00    -0.09   0.03   0.00    -0.10   0.12  -0.01
     5   6    -0.07   0.03   0.01     0.10   0.04   0.03    -0.06  -0.05  -0.03
     6   6     0.00  -0.01  -0.01    -0.03   0.00   0.01     0.04   0.06   0.01
     7   8     0.01  -0.00   0.01     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.03   0.00   0.00     0.02  -0.01  -0.01     0.05  -0.01  -0.00
     9   8     0.00   0.01  -0.01    -0.04  -0.03  -0.02     0.04   0.02   0.02
    10   8    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01     0.01  -0.02  -0.00
    11   1    -0.38   0.19   0.08     0.30   0.01  -0.12     0.11  -0.23   0.00
    12   1     0.47  -0.29  -0.23    -0.17  -0.36   0.02    -0.05   0.39   0.08
    13   1     0.01   0.16   0.04     0.05   0.46   0.08    -0.01  -0.17  -0.00
    14   1     0.50   0.01   0.15     0.25  -0.00   0.06     0.40  -0.01   0.10
    15   1     0.25   0.26  -0.00    -0.16  -0.18   0.01    -0.31  -0.35   0.05
    16   1     0.01  -0.03  -0.04    -0.08   0.59   0.04     0.07  -0.50  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1472.0672              1785.3903              1820.1838
 Red. masses --      1.5115                 9.0202                 8.2062
 Frc consts  --      1.9298                16.9408                16.0186
 IR Inten    --    155.5918               320.8943               292.6858
 RamAct Fr= 1--      1.5703                26.6148                13.9098
  Dep-P Fr= 1--      0.2074                 0.0948                 0.4267
  Dep-U Fr= 1--      0.3435                 0.1732                 0.5982
 Alpha2 Fr= 1--      0.0209                 0.4719                 0.0934
 Beta2  Fr= 1--      0.0899                 0.7682                 1.3867
 AlphaG Fr= 1--      0.0071                -0.0174                 0.1037
 Gamma2 Fr= 1--     -0.4915                -0.6654                 0.6306
 Delta2 Fr= 1--      0.0880                 0.0698                -0.0370
 Raman1 Fr= 1--       6.281                106.459                 55.639
 ROA1   Fr= 1--     -44.374                -61.645                 59.351
 CID1   Fr= 1--      -7.065                 -0.579                  1.067
 Raman2 Fr= 1--       1.079                  9.218                 16.640
 ROA2   Fr= 1--     -12.501                -16.528                 15.430
 CID2   Fr= 1--     -11.587                 -1.793                  0.927
 Raman3 Fr= 1--       2.158                 18.436                 33.281
 ROA3   Fr= 1--     -44.374                -61.645                 59.351
 CID3   Fr= 1--     -20.564                 -3.344                  1.783
 RC180  Fr= 1--      -0.313                 -0.654                  0.196
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.01     0.16   0.59  -0.08    -0.10  -0.30   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.35   0.05     0.05   0.17  -0.02
     3   8     0.03  -0.00   0.01     0.00  -0.06   0.01     0.01   0.03  -0.00
     4   6     0.02  -0.00   0.01    -0.00  -0.05   0.01    -0.01   0.01  -0.00
     5   6    -0.05  -0.05  -0.02     0.00   0.00  -0.01    -0.02  -0.00  -0.00
     6   6     0.02   0.13   0.02     0.30  -0.09   0.07     0.52  -0.24   0.10
     7   8     0.03  -0.03   0.00    -0.18   0.06  -0.04    -0.32   0.11  -0.07
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.00
     9   8     0.01   0.02   0.01    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.02    -0.04  -0.00  -0.01    -0.06   0.03  -0.01
    11   1    -0.04  -0.01   0.03    -0.01   0.10  -0.01     0.03  -0.05  -0.01
    12   1     0.05   0.18   0.00    -0.06  -0.02  -0.01    -0.03  -0.10   0.00
    13   1     0.12   0.89   0.12     0.14   0.19   0.09     0.04   0.54   0.07
    14   1    -0.13   0.00  -0.03    -0.47   0.02  -0.12     0.22  -0.00   0.06
    15   1    -0.00  -0.00   0.00    -0.02  -0.02  -0.01     0.02   0.03   0.00
    16   1     0.04  -0.29  -0.02    -0.04   0.15   0.01    -0.04   0.19  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3001.1265              3021.8027              3219.4006
 Red. masses --      1.0820                 1.0840                 1.0738
 Frc consts  --      5.7417                 5.8321                 6.5572
 IR Inten    --     13.2219                14.2386               844.9797
 RamAct Fr= 1--    136.0582                28.0270                97.6228
  Dep-P Fr= 1--      0.1619                 0.2259                 0.2194
  Dep-U Fr= 1--      0.2787                 0.3685                 0.3599
 Alpha2 Fr= 1--      2.0406                 0.3550                 1.2585
 Beta2  Fr= 1--      6.3189                 1.7215                 5.8557
 AlphaG Fr= 1--     -0.4012                -0.1033                -0.0405
 Gamma2 Fr= 1--     -4.4644                 3.1145                 0.7405
 Delta2 Fr= 1--     -5.6001                 7.2394                 1.8877
 Raman1 Fr= 1--     544.233                112.108                390.491
 ROA1   Fr= 1--    -607.789                530.653                131.492
 CID1   Fr= 1--      -1.117                  4.733                  0.337
 Raman2 Fr= 1--      75.827                 20.658                 70.269
 ROA2   Fr= 1--     -62.346                 16.832                  2.669
 CID2   Fr= 1--      -0.822                  0.815                  0.038
 Raman3 Fr= 1--     151.654                 41.316                140.538
 ROA3   Fr= 1--    -607.789                530.653                131.492
 CID3   Fr= 1--      -4.008                 12.844                  0.936
 RC180  Fr= 1--      -0.443                 -0.263                 -0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.02  -0.01  -0.07    -0.01  -0.01  -0.03     0.00   0.00  -0.00
     5   6     0.01  -0.01   0.03    -0.02   0.02  -0.07     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06   0.01  -0.01
    11   1     0.26   0.19   0.87     0.10   0.07   0.35    -0.00   0.00  -0.00
    12   1    -0.11   0.09  -0.35     0.26  -0.21   0.86    -0.00  -0.00  -0.00
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.97  -0.19   0.16
    14   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
    15   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    16   1     0.01   0.00   0.00    -0.01  -0.00  -0.01    -0.02   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3584.5675              3589.3900              3677.8414
 Red. masses --      1.0645                 1.0643                 1.0651
 Frc consts  --      8.0585                 8.0792                 8.4883
 IR Inten    --    178.1773               198.4792               109.3392
 RamAct Fr= 1--     86.1871                25.0413                36.5840
  Dep-P Fr= 1--      0.0618                 0.1515                 0.1137
  Dep-U Fr= 1--      0.1164                 0.2632                 0.2041
 Alpha2 Fr= 1--      1.6553                 0.3856                 0.6194
 Beta2  Fr= 1--      1.6715                 1.0985                 1.2446
 AlphaG Fr= 1--      0.1063                 0.1072                -0.0060
 Gamma2 Fr= 1--     -5.7509                 7.1901                -1.2713
 Delta2 Fr= 1--     -3.2493                 2.9264                -0.5365
 Raman1 Fr= 1--     344.748                100.165                146.336
 ROA1   Fr= 1--    -656.060                783.898               -139.216
 CID1   Fr= 1--      -1.903                  7.826                 -0.951
 Raman2 Fr= 1--      20.058                 13.182                 14.935
 ROA2   Fr= 1--    -112.026                149.152                -26.220
 CID2   Fr= 1--      -5.585                 11.315                 -1.756
 Raman3 Fr= 1--      40.116                 26.363                 29.869
 ROA3   Fr= 1--    -656.060                783.898               -139.216
 CID3   Fr= 1--     -16.354                 29.735                 -4.661
 RC180  Fr= 1--      -0.767                 -0.474                 -0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.02  -0.00    -0.00  -0.06   0.01     0.00   0.01  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.01
     9   8    -0.05  -0.00  -0.02    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.03  -0.00   0.00    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    14   1    -0.02  -0.30   0.04     0.07   0.94  -0.12    -0.00  -0.10   0.01
    15   1     0.07  -0.08  -0.02    -0.05   0.05   0.01    -0.66   0.71   0.20
    16   1     0.89   0.04   0.30     0.29   0.01   0.10     0.08   0.00   0.03

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   865.735951667.363582402.00096
           X            0.99999   0.00406  -0.00272
           Y           -0.00407   0.99999  -0.00149
           Z            0.00271   0.00150   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10005     0.05195     0.03606
 Rotational constants (GHZ):           2.08463     1.08239     0.75135
 Zero-point vibrational energy     304952.0 (Joules/Mol)
                                   72.88527 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    103.77   126.21   164.83   328.20   343.68
          (Kelvin)            465.74   480.12   523.28   600.59   681.68
                              744.91   773.52   848.60   878.68   966.61
                             1060.14  1084.61  1090.44  1286.90  1302.33
                             1347.32  1467.95  1621.75  1636.58  1758.47
                             1786.19  1820.01  1865.58  1927.09  1973.16
                             1993.17  2028.44  2057.47  2117.98  2568.78
                             2618.84  4317.95  4347.70  4632.00  5157.39
                             5164.33  5291.59
 
 Zero-point correction=                           0.116150 (Hartree/Particle)
 Thermal correction to Energy=                    0.125383
 Thermal correction to Enthalpy=                  0.126327
 Thermal correction to Gibbs Free Energy=         0.081403
 Sum of electronic and zero-point Energies=           -607.579004
 Sum of electronic and thermal Energies=              -607.569771
 Sum of electronic and thermal Enthalpies=            -607.568827
 Sum of electronic and thermal Free Energies=         -607.613750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.679             34.154             94.550
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.629
 Vibrational             76.902             28.193             23.994
 Vibration     1          0.598              1.967              4.094
 Vibration     2          0.601              1.958              3.710
 Vibration     3          0.607              1.937              3.190
 Vibration     4          0.651              1.798              1.894
 Vibration     5          0.657              1.781              1.811
 Vibration     6          0.708              1.628              1.291
 Vibration     7          0.715              1.608              1.242
 Vibration     8          0.737              1.547              1.106
 Vibration     9          0.780              1.432              0.901
 Vibration    10          0.831              1.308              0.727
 Vibration    11          0.873              1.211              0.615
 Vibration    12          0.893              1.167              0.570
 Vibration    13          0.947              1.054              0.468
 Vibration    14          0.970              1.009              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.360606D-37        -37.442967        -86.215617
 Total V=0       0.960087D+16         15.982311         36.800630
 Vib (Bot)       0.749085D-51        -51.125469       -117.720743
 Vib (Bot)    1  0.285867D+01          0.456164          1.050356
 Vib (Bot)    2  0.234481D+01          0.370108          0.852206
 Vib (Bot)    3  0.178599D+01          0.251879          0.579972
 Vib (Bot)    4  0.864137D+00         -0.063418         -0.146025
 Vib (Bot)    5  0.821299D+00         -0.085499         -0.196868
 Vib (Bot)    6  0.579430D+00         -0.236999         -0.545711
 Vib (Bot)    7  0.558637D+00         -0.252870         -0.582255
 Vib (Bot)    8  0.502713D+00         -0.298680         -0.687735
 Vib (Bot)    9  0.421464D+00         -0.375239         -0.864020
 Vib (Bot)   10  0.354871D+00         -0.449929         -1.036000
 Vib (Bot)   11  0.312413D+00         -0.505271         -1.163430
 Vib (Bot)   12  0.295358D+00         -0.529651         -1.219567
 Vib (Bot)   13  0.255819D+00         -0.592067         -1.363284
 Vib (Bot)   14  0.241804D+00         -0.616536         -1.419627
 Vib (V=0)       0.199438D+03          2.299808          5.295505
 Vib (V=0)    1  0.340207D+01          0.531743          1.224383
 Vib (V=0)    2  0.289753D+01          0.462028          1.063859
 Vib (V=0)    3  0.235466D+01          0.371928          0.856395
 Vib (V=0)    4  0.149836D+01          0.175618          0.404374
 Vib (V=0)    5  0.146153D+01          0.164807          0.379481
 Vib (V=0)    6  0.126534D+01          0.102206          0.235337
 Vib (V=0)    7  0.124972D+01          0.096812          0.222917
 Vib (V=0)    8  0.120903D+01          0.082436          0.189817
 Vib (V=0)    9  0.115394D+01          0.062182          0.143179
 Vib (V=0)   10  0.111313D+01          0.046548          0.107180
 Vib (V=0)   11  0.108958D+01          0.037258          0.085790
 Vib (V=0)   12  0.108072D+01          0.033713          0.077628
 Vib (V=0)   13  0.106164D+01          0.025979          0.059818
 Vib (V=0)   14  0.105540D+01          0.023417          0.053920
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.666561D+06          5.823840         13.409887
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3      33                                        11         1111111111  11  1                                   
     6  55           2      00                                        87         4443332222  11  0  998  777 6 65 554 4333  22  1    
     7  88           1      20                                        28         7318739642  32  2  309  553 7 19 317 1632  32  187  
     8  95           9      21                                        05         2005197512  77  0  654  847 2 10 884 7444  98  582  
 
     X  XX           X      XX                                        XX         XXXXXXXXXX  XX  X  XXX  XXX X XX XXX XXXX  XX  XXX  
     X  XX           X                                                XX         XXXXXXX  X   X       X    X      X                  
     X  XX           X                                                XX         XXXX  X      X                                      
        XX           X                                                XX         XX X         X                                      
        X            X                                                XX          X X                                                
                     X                                                XX            X                                                
                     X                                                XX            X                                                
                     X                                                 X                                                             
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004074   -0.000001755   -0.000003318
      2        8          -0.000003485   -0.000005707    0.000001032
      3        8           0.000005201    0.000002927   -0.000001410
      4        6           0.000003186    0.000004652    0.000001129
      5        6          -0.000004948    0.000003142   -0.000002528
      6        6          -0.000001929   -0.000008542    0.000005804
      7        8          -0.000004577    0.000006772    0.000000029
      8        8          -0.000000959   -0.000001581    0.000000714
      9        8           0.000003830   -0.000000467   -0.000005605
     10        8           0.000003193   -0.000001110    0.000000388
     11        1          -0.000001423   -0.000001061    0.000001238
     12        1          -0.000003339   -0.000007236   -0.000001271
     13        1           0.000002685    0.000012055    0.000001878
     14        1          -0.000000484   -0.000000824   -0.000000694
     15        1          -0.000002318    0.000000668    0.000001878
     16        1           0.000001293   -0.000001932    0.000000737
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012055 RMS     0.000003735
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.891159D+02  0.762505D-01  0.253414D+01
      2   0.762505D-01  0.797913D+02 -0.493388D+00
      3   0.253414D+01 -0.493388D+00  0.544090D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466216D+01 -0.808098D+00 -0.546254D+01
      2  -0.160336D+01 -0.528469D+01 -0.338845D+01
      3  -0.137883D+02 -0.592917D+00  0.129499D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107647D+02  0.203846D+02 -0.411749D+01
      2   0.475593D+01 -0.111283D+02  0.344622D+01
      3   0.600879D+01 -0.925630D+01  0.671264D+00
      4   0.182828D+02 -0.345269D+01 -0.117769D+02
      5  -0.402095D+01 -0.961385D+01 -0.340716D+01
      6  -0.840386D+01  0.507301D+00  0.894689D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.273321D+01 -0.987040D+00 -0.100005D+00  0.275377D+01  0.111556D+01
      2  -0.987040D+00  0.248991D+01 -0.336094D+00  0.111556D+01  0.549791D+01
      3  -0.100005D+00 -0.336094D+00  0.594575D+00 -0.344532D+00 -0.374573D+00
                 6             7             8             9            10 
      1  -0.344532D+00 -0.236854D+01  0.631579D+00  0.395524D+00 -0.240509D+01
      2  -0.374573D+00  0.631579D+00 -0.977839D+00 -0.211990D+00 -0.186326D+01
      3  -0.133992D+00  0.395524D+00 -0.211990D+00 -0.786263D+00  0.237904D+00
                11            12            13            14            15 
      1  -0.186326D+01  0.237904D+00 -0.613705D+01  0.201228D+00 -0.607877D-02
      2  -0.972459D+00  0.111845D+00  0.201228D+00 -0.119576D+02  0.676974D+00
      3   0.111845D+00 -0.508990D+00 -0.607877D-02  0.676974D+00 -0.195185D+01
                16            17            18            19            20 
      1   0.109451D+01 -0.419847D-01 -0.234241D+00  0.969823D+01  0.171020D+00
      2  -0.419847D-01  0.913494D+00 -0.262473D+01  0.171020D+00  0.512406D+00
      3  -0.234241D+00 -0.262473D+01  0.934932D+00  0.559005D+00  0.175416D+00
                21            22            23            24            25 
      1   0.559005D+00 -0.189579D+01  0.952112D+00 -0.158559D+00  0.213095D+01
      2   0.175416D+00  0.952112D+00 -0.363305D+01  0.722928D+00 -0.259637D+00
      3   0.114753D+01 -0.158559D+00  0.722928D+00 -0.107740D+00  0.232768D+01
                26            27            28            29            30 
      1  -0.259637D+00  0.232768D+01  0.605509D+01 -0.120016D+01 -0.641711D+00
      2   0.925196D+00  0.408380D+00 -0.120016D+01 -0.598404D+00  0.455041D+00
      3   0.408380D+00  0.966301D+00 -0.641711D+00  0.455041D+00  0.236289D+01
                31            32            33            34            35 
      1  -0.111225D+01 -0.204398D+01  0.100223D+01 -0.291502D+01  0.765902D+00
      2  -0.204398D+01 -0.143044D+01  0.382637D+00  0.765902D+00  0.204057D+00
      3   0.100223D+01  0.382637D+00  0.184356D+01  0.287339D+01  0.518363D+00
                36            37            38            39            40 
      1   0.287339D+01 -0.608585D+01  0.187632D+01  0.545324D+00 -0.168747D+00
      2   0.518363D+00  0.187632D+01  0.109140D+01  0.590835D+00  0.197016D+01
      3   0.505203D+01  0.545324D+00  0.590835D+00 -0.219878D+01  0.112101D+01
                41            42            43            44            45 
      1   0.197016D+01  0.112101D+01  0.310110D+01 -0.110962D+00 -0.281631D+01
      2  -0.124226D+00 -0.202087D+00 -0.110962D+00  0.353343D+00  0.137860D+01
      3  -0.202087D+00  0.197854D+01 -0.281631D+01  0.137860D+01 -0.488043D+01
                46            47            48            49            50 
      1   0.751551D+01 -0.231278D+01  0.915142D+00 -0.529210D+01 -0.144374D+01
      2  -0.231278D+01  0.115248D+01 -0.722100D-01 -0.144374D+01  0.435629D+00
      3   0.915142D+00 -0.722100D-01  0.667960D+00 -0.938468D+00 -0.197954D+00
                51            52            53            54            55 
      1  -0.938468D+00  0.180185D+01 -0.113330D+00  0.225555D+00 -0.153332D+02
      2  -0.197954D+00 -0.113330D+00  0.751518D+00 -0.772863D+00  0.173118D+01
      3  -0.145315D+01  0.225555D+00 -0.772863D+00  0.847176D+00 -0.128512D+01
                56            57            58            59            60 
      1   0.173118D+01 -0.128512D+01  0.292866D+01 -0.215050D+01  0.381462D+00
      2  -0.395075D+01  0.535887D-01 -0.215050D+01  0.220435D+01 -0.284433D+00
      3   0.535887D-01 -0.233794D+01  0.381462D+00 -0.284433D+00  0.108717D+01
                61            62            63            64            65 
      1  -0.227747D+01  0.165782D+00 -0.342098D+01  0.512914D+01  0.124475D+01
      2   0.165782D+00 -0.100703D+01  0.712073D+00  0.124475D+01  0.433094D+01
      3  -0.342098D+01  0.712073D+00 -0.170573D+01 -0.698694D+00 -0.564466D+00
                66            67            68            69            70 
      1  -0.698694D+00  0.178019D+00  0.299769D+01 -0.378398D+00 -0.688334D+00
      2  -0.564466D+00  0.299769D+01  0.253420D+01 -0.110318D+01 -0.569409D-01
      3   0.461179D+00 -0.378398D+00 -0.110318D+01 -0.328177D+00  0.700947D+00
                71            72            73            74            75 
      1  -0.569409D-01  0.700947D+00  0.280175D+01  0.111243D+01  0.660705D+00
      2  -0.121038D+01  0.125080D+01  0.111243D+01  0.198722D+01 -0.232465D+00
      3   0.125080D+01 -0.716650D+00  0.660705D+00 -0.232465D+00  0.101962D+01
                76            77            78            79            80 
      1   0.168590D+01 -0.861181D+00 -0.768459D+00  0.147263D+01 -0.498013D+00
      2  -0.861181D+00  0.616603D+01  0.136628D+01 -0.498013D+00  0.196691D+01
      3  -0.768459D+00  0.136628D+01  0.463528D+00 -0.394975D+00  0.159297D+01
                81            82            83            84            85 
      1  -0.394975D+00 -0.852245D+01 -0.133060D+01 -0.739058D+00  0.121357D+01
      2   0.159297D+01 -0.133060D+01 -0.161098D+01 -0.653194D-01 -0.603942D+00
      3   0.113661D+01 -0.739058D+00 -0.653194D-01 -0.238687D+00  0.434042D+00
                86            87            88            89            90 
      1  -0.603942D+00  0.434042D+00 -0.138907D+01  0.606735D-01 -0.156622D-01
      2  -0.759266D+01 -0.291103D+00  0.606735D-01 -0.793509D+00 -0.198260D+01
      3  -0.291103D+00 -0.906138D+00 -0.156622D-01 -0.198260D+01 -0.504130D+00
                91            92            93            94            95 
      1  -0.202091D+01 -0.240313D+00 -0.118824D+01 -0.367531D+00  0.184598D+00
      2  -0.240313D+00 -0.372712D+00 -0.835962D-01  0.184598D+00 -0.499362D+00
      3  -0.118824D+01 -0.835962D-01 -0.182063D+01 -0.287677D+00 -0.125370D+01
                96            97            98            99           100 
      1  -0.287677D+00 -0.152417D+01 -0.418212D+00 -0.114497D+01  0.205259D+01
      2  -0.125370D+01 -0.418212D+00 -0.178492D+01 -0.600396D+00 -0.523379D+00
      3  -0.108180D+01 -0.114497D+01 -0.600396D+00 -0.772093D+01  0.121972D+01
               101           102           103           104           105 
      1  -0.523379D+00  0.121972D+01 -0.620526D+00 -0.155676D+00 -0.280667D+00
      2   0.993134D-01 -0.160637D+00 -0.155676D+00 -0.575575D+00  0.125735D+01
      3  -0.160637D+00  0.175795D+01 -0.280667D+00  0.125735D+01 -0.119388D+01
               106           107           108           109           110 
      1   0.154122D+01 -0.249085D+00  0.140066D+01  0.933275D+01 -0.577571D+00
      2  -0.249085D+00  0.160096D+01 -0.832116D+00 -0.577571D+00  0.142582D+01
      3   0.140066D+01 -0.832116D+00  0.761799D+01  0.465064D+00  0.211775D+00
               111           112           113           114           115 
      1   0.465064D+00 -0.690963D+00  0.363270D+00 -0.461187D-01  0.134913D+01
      2   0.211775D+00  0.363270D+00 -0.192595D+01  0.505849D-01 -0.102431D+00
      3   0.383189D+00 -0.461187D-01  0.505849D-01 -0.598362D+00  0.149665D-01
               116           117           118           119           120 
      1  -0.102431D+00  0.149665D-01  0.183683D+01  0.136638D+01 -0.129185D+00
      2   0.302725D+00 -0.587491D+00  0.136638D+01  0.734471D+00  0.122771D+00
      3  -0.587491D+00  0.773649D-01 -0.129185D+00  0.122771D+00  0.645978D+00
               121           122           123           124           125 
      1   0.409986D+01  0.122261D+01  0.501912D+00 -0.421483D+00  0.109614D+00
      2   0.122261D+01  0.479162D+01 -0.377244D+00  0.109614D+00 -0.430245D+00
      3   0.501912D+00 -0.377244D+00  0.809249D+00  0.689452D+00  0.486071D+00
               126           127           128           129           130 
      1   0.689452D+00 -0.232796D+01  0.598471D+00  0.608204D+00  0.240982D+01
      2   0.486071D+00  0.598471D+00 -0.249752D+01  0.827618D-01 -0.706513D+00
      3   0.136243D+00  0.608204D+00  0.827618D-01 -0.533979D+00 -0.284371D+00
               131           132           133           134           135 
      1  -0.706513D+00 -0.284371D+00  0.734208D+00 -0.452818D-01 -0.157641D-01
      2   0.567089D+01 -0.581419D-01 -0.452818D-01  0.592617D+00  0.844229D+00
      3  -0.581419D-01  0.123134D+01 -0.157641D-01  0.844229D+00 -0.483287D-01
               136           137           138           139           140 
      1  -0.499318D+01  0.934564D+00 -0.429062D+00  0.101535D+01 -0.104170D+01
      2   0.934564D+00 -0.382113D+01 -0.289246D+00 -0.104170D+01  0.438269D+00
      3  -0.429062D+00 -0.289246D+00 -0.140188D+01  0.526748D-01 -0.314343D+00
               141           142           143           144 
      1   0.526748D-01 -0.164151D+01  0.162328D+00 -0.585272D+00
      2  -0.314343D+00  0.162328D+00 -0.140689D+01  0.420700D+00
      3   0.341699D+00 -0.585272D+00  0.420700D+00 -0.406183D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127757D+00 -0.194163D+01  0.130612D+01 -0.394293D+01  0.272714D+01
      2   0.364417D+01 -0.321406D+01 -0.449509D+01 -0.538022D+01  0.531117D+00
      3   0.879681D+00 -0.423854D+01  0.244375D+01 -0.728036D+01 -0.722838D+01
                 6             7             8             9            10 
      1   0.792724D+01 -0.664581D+00  0.978652D+01 -0.286093D+01  0.258128D+00
      2  -0.857840D-02 -0.146827D+02  0.238811D+01 -0.466452D+01 -0.314441D+00
      3   0.204553D+01  0.523817D+01  0.316301D+01 -0.124109D+01  0.602168D+01
                11            12            13            14            15 
      1   0.423821D+00 -0.449539D+00 -0.855010D-01  0.473802D+00 -0.106617D+02
      2   0.681122D+00  0.319313D+01  0.880345D+00  0.975964D+00 -0.175074D+01
      3  -0.144164D+01 -0.107417D+01  0.180728D+02  0.182515D+02 -0.117523D+01
                16            17            18            19            20 
      1   0.154533D+01 -0.523766D+00  0.230320D+01  0.751327D+00  0.610263D+00
      2  -0.221262D+01 -0.549294D+01  0.217382D+01  0.103399D+01  0.695186D+00
      3  -0.303031D+01 -0.135188D+01  0.524271D+01 -0.308011D+01 -0.882438D+01
                21            22            23            24            25 
      1  -0.507553D+00  0.836323D+00 -0.185227D+01 -0.203251D+01  0.195968D+01
      2   0.893813D+01  0.115335D+01  0.215256D+01 -0.143263D+01  0.527404D+01
      3  -0.760928D+00  0.416789D-02  0.159441D+02 -0.296041D+01 -0.130022D+01
                26            27            28            29            30 
      1   0.172470D+01  0.475362D+00  0.409370D+00  0.121576D+01  0.199077D+01
      2  -0.158030D+01  0.369418D+01 -0.329501D+01  0.100397D+01  0.350736D+01
      3  -0.455519D+01 -0.179176D+01  0.711726D+00 -0.354184D+01 -0.277011D-01
                31            32            33            34            35 
      1   0.353855D+01  0.288347D+00 -0.212529D+01 -0.244592D+01  0.265393D+01
      2   0.311771D+01 -0.436442D+00 -0.181090D+01 -0.332927D+01  0.119651D+01
      3   0.473054D+01  0.198981D+01 -0.120349D+01 -0.150521D+01 -0.317442D+00
                36            37            38            39            40 
      1  -0.189350D+01 -0.763272D+00  0.245808D+01 -0.157100D+01  0.114951D+01
      2   0.368411D+01 -0.196037D+01 -0.697740D+00  0.305564D+01 -0.268400D+01
      3  -0.242176D+00  0.126048D+01 -0.131469D+01 -0.267420D+00  0.625804D+01
                41            42            43            44            45 
      1  -0.114808D-01 -0.180087D+01  0.154589D+01  0.206296D+01  0.253297D+01
      2  -0.981149D+00  0.111855D+01 -0.398070D+01 -0.250971D+01  0.336208D+01
      3   0.861365D+00  0.637764D+00  0.240674D+01 -0.106852D+01  0.854420D+00
                46            47            48            49            50 
      1   0.363442D+00 -0.549435D+01 -0.197049D+01 -0.426911D+01 -0.304186D+01
      2   0.398303D+01  0.297283D+01 -0.860752D+01  0.510531D+01  0.205781D+01
      3  -0.504690D+01  0.904711D+01 -0.116691D+01  0.251617D+01 -0.383117D+01
                51            52            53            54            55 
      1   0.578060D+01  0.239946D+01  0.131480D+02  0.242567D+01 -0.132353D+01
      2   0.282263D+01 -0.140446D+02 -0.260936D+01 -0.558408D+01  0.642443D+00
      3   0.188362D+01 -0.244215D+01  0.626438D+01 -0.850581D+00  0.943853D+01
                56            57            58            59            60 
      1   0.250575D+01  0.849341D+00  0.124525D+01 -0.400777D+00 -0.360801D+01
      2  -0.624519D+00  0.139946D+02 -0.167397D+01 -0.165937D+00 -0.227954D+01
      3  -0.213753D+02  0.621550D+00 -0.216179D+01  0.988643D+01 -0.760771D+00
                61            62            63            64            65 
      1  -0.284331D+01  0.147814D+01 -0.997497D+00  0.198478D+01 -0.221955D+01
      2   0.526878D+01  0.984382D+00  0.538492D+01  0.182560D+01 -0.491141D-01
      3   0.107188D+01 -0.484731D+01  0.341146D+01  0.142006D+02 -0.105791D+02
                66            67            68            69            70 
      1  -0.338308D+01 -0.270541D+01 -0.692920D+00 -0.344180D+01 -0.132412D+01
      2   0.386355D+01 -0.161659D+00 -0.341058D+00  0.210584D+01 -0.200374D+01
      3  -0.178660D+01 -0.382293D+01  0.230270D+01  0.206421D+01 -0.374546D+01
                71            72            73            74            75 
      1   0.334468D+01  0.103098D+01 -0.130540D+01 -0.782845D+00 -0.806474D+00
      2   0.115890D+01 -0.112014D+01 -0.175728D+01 -0.174247D+01  0.117425D+01
      3   0.189327D+01  0.984633D-02  0.130801D+02  0.717181D+01  0.286222D+01
                76            77            78            79            80 
      1  -0.833503D-01  0.295738D+01 -0.598651D+01 -0.157291D+00  0.147596D+01
      2  -0.669462D+00 -0.726118D+00 -0.224824D+01 -0.325282D+01 -0.172480D+00
      3   0.874837D+01  0.762699D+01  0.204350D+00  0.508599D+01  0.374723D+01
                81            82            83            84            85 
      1  -0.179383D+01 -0.158018D+01  0.138127D+01 -0.753490D+00  0.266880D+00
      2  -0.179382D+01 -0.323135D-02 -0.102331D+00  0.369474D+01 -0.129970D+01
      3   0.174956D+01  0.247179D+02 -0.687568D+01  0.174726D+01  0.431806D+01
                86            87            88            89            90 
      1  -0.336385D+00 -0.769167D+01 -0.212067D+01 -0.239872D+01 -0.179956D+01
      2   0.131283D+00  0.127599D+00 -0.920209D+00  0.437363D+01  0.141886D+01
      3  -0.871038D+01 -0.959268D+00  0.500053D+01 -0.226739D+01 -0.341284D+01
                91            92            93            94            95 
      1   0.101189D+01  0.921109D+00  0.682103D+00  0.893005D+00  0.750088D+00
      2  -0.224738D+01 -0.588501D+00 -0.551160D+00 -0.138811D+01 -0.121894D+01
      3  -0.645859D+00 -0.205301D+00 -0.288238D+00  0.111547D+01  0.230339D+00
                96            97            98            99           100 
      1   0.604671D+00  0.721506D+00  0.345958D+01  0.225485D+01 -0.104393D+01
      2  -0.637502D+00 -0.345175D+01 -0.361533D+00 -0.450175D+01 -0.206439D+01
      3   0.840585D+00 -0.243543D+00  0.485671D+00 -0.216214D+00  0.121992D+00
               101           102           103           104           105 
      1   0.731744D+00 -0.819596D+00  0.723063D+00 -0.136334D+01  0.558150D+00
      2   0.475088D+00 -0.497974D+00  0.140461D+01 -0.849362D+00  0.623225D+00
      3  -0.889255D+00  0.320534D+00  0.892969D+00 -0.804449D+00  0.745615D+00
               106           107           108           109           110 
      1  -0.981232D+00  0.320294D+01 -0.279975D+01  0.142276D+01 -0.521287D+00
      2  -0.388511D+01  0.888005D+00 -0.430699D+01  0.253726D+00 -0.286420D+00
      3  -0.300247D+00  0.219798D+00 -0.238592D+00 -0.301786D+02  0.810850D+01
               111           112           113           114           115 
      1   0.108859D+01 -0.561864D+00  0.631036D-01 -0.680379D+00  0.526102D+00
      2  -0.300429D+01  0.147410D-01 -0.599595D-01  0.316843D+00 -0.293613D+01
      3  -0.139813D+01  0.504971D+01 -0.240033D+01  0.216984D+00 -0.421980D+01
               116           117           118           119           120 
      1   0.351736D+00  0.279769D+00  0.516381D+00 -0.456184D+00 -0.860242D+00
      2   0.445545D+00 -0.211776D+00 -0.245315D+00 -0.406039D-01  0.745312D+00
      3   0.116663D+01 -0.326753D+00 -0.487936D+01 -0.679628D+00 -0.620835D+00
               121           122           123           124           125 
      1   0.760973D-02  0.228285D+01 -0.529157D+00  0.935196D-01  0.101518D+01
      2   0.863198D+00 -0.184614D+01  0.337364D+01  0.333581D+00  0.205520D+01
      3  -0.124000D+01 -0.217149D+02  0.229993D+01 -0.164396D+00  0.274096D+01
               126           127           128           129           130 
      1  -0.286708D+00 -0.321102D+01  0.155791D+01  0.201957D+01  0.149265D+01
      2  -0.348170D+00 -0.109371D+01  0.252223D+00 -0.750202D+00  0.628385D+00
      3  -0.125430D+01 -0.125075D+02  0.579970D+01  0.288005D+01  0.100113D+02
               131           132           133           134           135 
      1  -0.243983D+01 -0.313781D+01  0.303317D+00 -0.137726D+01 -0.611131D+00
      2  -0.329008D+00  0.693755D+00 -0.120623D+01  0.549934D+00  0.820302D+00
      3  -0.950527D+01 -0.123374D+01  0.391860D+01 -0.168827D+01 -0.992587D+00
               136           137           138           139           140 
      1   0.238151D+01 -0.389857D+00  0.318497D+01  0.228616D+00  0.843228D+00
      2   0.286488D+01  0.101828D+01  0.294392D+01  0.894709D-01  0.110538D+01
      3  -0.141324D+02 -0.100580D+02 -0.323737D+01 -0.265462D+01 -0.286091D+01
               141           142           143           144 
      1  -0.379396D+00  0.148045D+01  0.491667D+00  0.149304D+01
      2  -0.101396D+01  0.471543D+00 -0.135142D+01  0.726150D+00
      3  -0.137885D+01 -0.577055D+01 -0.358496D+01 -0.701099D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.227720D+02  0.684603D+00 -0.829927D+00 -0.290340D+01  0.235981D+02
      2   0.139011D+02 -0.401195D+01  0.251285D+01  0.200415D+01 -0.305068D+02
      3   0.887091D+01  0.332735D+01 -0.168293D+01  0.899249D+00  0.690865D+01
      4  -0.706222D+01  0.206251D+01 -0.136071D+01 -0.531838D+01  0.103186D+02
      5  -0.253867D+01 -0.237341D+01 -0.756946D+01 -0.894675D-01  0.500636D+00
      6   0.329349D+00 -0.170265D+00 -0.481802D+01  0.106862D+00  0.167649D+01
                 6             7             8             9            10 
      1  -0.336502D+01 -0.946659D+01 -0.534054D+01 -0.293686D+01 -0.141465D+01
      2   0.155691D+00  0.672645D+01  0.419507D+01 -0.634477D+01  0.549156D+01
      3   0.320933D+01  0.274013D+01  0.114547D+01  0.928162D+01 -0.407691D+01
      4  -0.998808D+00  0.517973D+00 -0.182274D+01 -0.122639D+01 -0.396121D+01
      5  -0.206246D+01  0.324421D+01  0.842029D+00 -0.493886D+01  0.107750D+00
      6  -0.919294D+01 -0.655839D+00  0.215623D+01  0.361845D+01 -0.974638D+00
                11            12            13            14            15 
      1  -0.832236D+01  0.920646D+00 -0.130444D+02 -0.351951D+02  0.143771D+01
      2   0.708455D+01 -0.898833D+00  0.719437D+01  0.537380D+02 -0.894983D+00
      3   0.123782D+01 -0.218125D-01  0.584998D+01 -0.185429D+02 -0.542731D+00
      4   0.154328D+02 -0.722837D+00  0.163676D+02 -0.291023D+02  0.140846D+01
      5  -0.145580D+00  0.500294D+01 -0.159998D+01 -0.171620D+00 -0.425427D+01
      6  -0.526552D+00  0.135101D+01 -0.871152D+00 -0.288082D+01  0.158489D+02
                16            17            18            19            20 
      1   0.281904D+01  0.383504D+01 -0.950411D+01  0.683235D+02  0.140291D+01
      2  -0.244727D+01 -0.270856D+01  0.691342D+01 -0.410485D+02 -0.789675D+00
      3  -0.371765D+00 -0.112648D+01  0.259069D+01 -0.272750D+02 -0.613237D+00
      4  -0.121806D+01  0.153231D+01 -0.771858D+01  0.841336D+00  0.977361D+01
      5   0.394372D+01 -0.860223D+01  0.251395D+01  0.490652D+01  0.164814D+01
      6   0.173253D+00  0.139727D+02 -0.422224D+01  0.868987D+00  0.460391D+00
                21            22            23            24            25 
      1   0.291406D+01 -0.793877D+01  0.390773D+01 -0.462086D+00  0.806675D+01
      2  -0.274103D+01  0.385106D+01 -0.603314D+00  0.779636D+00 -0.722641D+01
      3  -0.173027D+00  0.408771D+01 -0.330442D+01 -0.317550D+00 -0.840334D+00
      4   0.127406D+01  0.117368D+02 -0.168894D+02  0.352909D+01  0.188551D+01
      5   0.173276D+02 -0.254870D+00  0.357786D+01 -0.578790D+00  0.196941D+02
      6   0.130133D+01  0.161156D+00  0.902451D-01  0.415685D+01 -0.148007D+01
                26            27            28            29            30 
      1   0.147081D+01  0.102533D+02  0.213914D+00  0.560495D+01  0.139280D+01
      2  -0.927052D-01 -0.112220D+02  0.166118D+01 -0.571763D+01  0.402484D+01
      3  -0.137810D+01  0.968713D+00 -0.187509D+01  0.112678D+00 -0.541764D+01
      4   0.373762D+01 -0.530129D+00 -0.295223D+01 -0.319099D+01  0.186018D+00
      5   0.121298D+01  0.756215D+01 -0.121392D+01  0.196687D+01  0.401934D+00
      6   0.374972D+01 -0.304660D+00 -0.116220D+01  0.169426D+01 -0.374549D+01
                31            32            33            34            35 
      1   0.158712D+01 -0.841261D+00  0.429271D+01  0.280067D+01  0.240410D+01
      2   0.236482D+00 -0.233499D+01  0.337043D+01  0.337934D+01 -0.503151D+00
      3  -0.182360D+01  0.317625D+01 -0.766314D+01 -0.618001D+01 -0.190094D+01
      4  -0.951352D+01 -0.899844D+01  0.230999D+01 -0.128252D+01  0.349187D+01
      5   0.161485D+01  0.166677D+01 -0.391539D+01  0.166149D+01  0.232799D+01
      6   0.196378D+01  0.193478D+01 -0.474534D+01  0.360170D+01  0.123556D+01
                36            37            38            39            40 
      1   0.839876D+01  0.135817D+01 -0.680699D+01  0.273796D+01 -0.153439D+00
      2   0.809369D+01 -0.127849D+01  0.471269D+01  0.198498D+01 -0.245158D+01
      3  -0.164925D+02 -0.796809D-01  0.209430D+01 -0.472294D+01  0.260502D+01
      4   0.570456D+01  0.752148D+00 -0.366133D+01 -0.363155D+00 -0.837528D+01
      5   0.827549D+00 -0.150765D+00 -0.134538D+01 -0.239573D+00 -0.139078D+01
      6  -0.858861D+00  0.952875D+00  0.588844D+00  0.443991D+01  0.338938D+01
                41            42            43            44            45 
      1  -0.124133D+00 -0.398429D+01  0.560196D+01 -0.277297D+01  0.857861D+01
      2  -0.342191D+01 -0.334596D+01  0.239364D+01 -0.148686D+01  0.681334D+01
      3   0.354604D+01  0.733025D+01 -0.799559D+01  0.425983D+01 -0.153920D+02
      4   0.230354D+01  0.287364D+01 -0.371289D+00  0.210270D+01 -0.652486D+01
      5   0.506466D+00  0.381029D+01  0.122219D+01 -0.287220D+01  0.583219D+00
      6  -0.230929D+01 -0.481499D+01 -0.352103D+01  0.180660D+01  0.522450D+00
                46            47            48            49            50 
      1  -0.480205D+02  0.289136D+01 -0.312778D+01  0.220418D+02  0.168876D+02
      2   0.314271D+02  0.203770D+01  0.554779D+01 -0.134236D+02 -0.200283D+02
      3   0.165935D+02 -0.492906D+01 -0.242001D+01 -0.861815D+01  0.314070D+01
      4   0.847373D+01 -0.121460D+02  0.260322D+00  0.400188D+01  0.298449D+01
      5  -0.614274D+01  0.127296D+01 -0.137629D+02  0.363625D+01  0.149897D+01
      6   0.257338D+00 -0.463473D+00  0.476492D+01  0.204734D+01 -0.538852D-01
                51            52            53            54            55 
      1   0.447725D+01 -0.116726D+02  0.474872D+01 -0.679584D+01  0.984719D+02
      2  -0.130087D+01  0.862740D+01 -0.233390D+01 -0.256865D+01 -0.589902D+02
      3  -0.317638D+01  0.304522D+01 -0.241482D+01  0.936449D+01 -0.394817D+02
      4   0.125624D+01  0.203898D+01 -0.402113D+01  0.262696D+01 -0.513553D+01
      5   0.668120D+01  0.156907D+01  0.127768D+01 -0.713894D+01  0.945335D+01
      6  -0.806255D+01  0.122559D+00  0.266812D+01 -0.227937D+01 -0.101160D+01
                56            57            58            59            60 
      1  -0.905572D+01  0.555630D+01 -0.133936D+02  0.757522D+01 -0.189093D+01
      2   0.626916D+01 -0.554127D+01  0.941536D+01 -0.723509D+00  0.152972D+01
      3   0.278656D+01 -0.150324D-01  0.397823D+01 -0.685171D+01  0.361212D+00
      4   0.254961D+02 -0.460921D+00  0.183813D+02 -0.757892D+01  0.230189D+01
      5  -0.133497D+01  0.247191D+02 -0.247373D+01  0.217144D+01 -0.545071D+01
      6   0.149423D+01 -0.148861D+01  0.111670D+01 -0.350110D-01  0.560465D+01
                61            62            63            64            65 
      1   0.102202D+02 -0.242196D+01  0.148400D+02  0.140452D+02 -0.103310D+02
      2  -0.938548D+01  0.148094D+01 -0.145822D+02 -0.654545D+01  0.180484D+02
      3  -0.834743D+00  0.941014D+00 -0.257762D+00 -0.749976D+01 -0.771739D+01
      4  -0.267559D+01  0.517053D+01 -0.148062D+01  0.167086D+02  0.156295D+02
      5   0.256670D+02 -0.298057D+01  0.118762D+02 -0.263125D+01 -0.168239D+01
      6   0.170588D+01  0.438560D+01  0.334566D+00 -0.327330D+01 -0.370602D+01
                66            67            68            69            70 
      1   0.559806D+00 -0.612844D+01 -0.203651D+01  0.124338D+01 -0.653548D+00
      2  -0.111799D+01  0.941376D+01  0.837195D+01 -0.355726D+01  0.161004D+01
      3   0.558179D+00 -0.328532D+01 -0.633544D+01  0.231387D+01 -0.956491D+00
      4  -0.323593D+01  0.147421D+02  0.193344D+02 -0.221104D+01 -0.171854D+01
      5   0.766199D+01 -0.106322D+01 -0.442642D+01  0.422906D+01  0.531751D+01
      6   0.549079D+01 -0.195025D+01 -0.523602D+01  0.988005D+01  0.337325D+01
                71            72            73            74            75 
      1   0.506967D+01 -0.426236D+01 -0.360041D+01 -0.243842D+01 -0.270113D+01
      2  -0.358286D+01 -0.532542D+00  0.304017D+01  0.206295D+01  0.527399D-01
      3  -0.148682D+01  0.479490D+01  0.560236D+00  0.375463D+00  0.264839D+01
      4  -0.292548D+01  0.458389D+01  0.414611D+01 -0.629962D+00  0.213279D+01
      5   0.308310D+01 -0.353076D+01 -0.227416D+01 -0.248379D-01  0.489968D+01
      6   0.763232D+01 -0.400087D+01  0.331189D+01 -0.102172D+01 -0.124595D+00
                76            77            78            79            80 
      1  -0.206065D+01 -0.188093D+02 -0.221936D+01 -0.207807D+01 -0.574591D+01
      2  -0.600111D+00  0.292033D+02  0.309803D+01  0.139974D+01  0.474539D+01
      3   0.266076D+01 -0.103940D+02 -0.878666D+00  0.678331D+00  0.100053D+01
      4   0.132911D+02 -0.191784D+02 -0.477311D+01  0.505432D+01 -0.619087D+01
      5   0.190697D+01 -0.393030D+01 -0.564140D+01  0.445478D+01 -0.325451D+01
      6  -0.370289D+01  0.784130D+01  0.125610D+02 -0.180792D+01  0.879867D+01
                81            82            83            84            85 
      1  -0.671064D+01  0.120690D+02  0.401335D+01  0.166104D+01 -0.378211D+01
      2   0.164480D+01 -0.382797D+01 -0.147182D+01 -0.153446D+01  0.349390D+01
      3   0.506585D+01 -0.824102D+01 -0.254153D+01 -0.126588D+00  0.288215D+00
      4  -0.341481D+01  0.206883D+02  0.207467D+02  0.148027D+01  0.800801D+01
      5  -0.402877D+01  0.127069D+01  0.265186D+00  0.700519D+01 -0.920674D+00
      6   0.575109D+01  0.324017D+01 -0.353363D+00  0.203315D+00 -0.217326D+01
                86            87            88            89            90 
      1  -0.254736D+02 -0.209856D+01  0.161441D+01 -0.294713D+01 -0.739137D+01
      2   0.395444D+02  0.123966D+01 -0.165099D+01  0.192559D+01  0.463998D+01
      3  -0.140708D+02  0.858908D+00  0.365854D-01  0.102154D+01  0.275139D+01
      4   0.198848D+02 -0.432815D+00  0.242408D+01  0.204892D+01  0.679203D+01
      5  -0.926545D+00  0.124336D+01  0.434582D+01  0.680577D+01  0.153758D+01
      6   0.107463D+01  0.134901D+02  0.138651D+00  0.122805D+02  0.278977D+01
                91            92            93            94            95 
      1  -0.178968D+01 -0.881978D+00 -0.332020D+01 -0.185293D+01 -0.279652D+01
      2  -0.372069D+01 -0.392462D+00 -0.229069D+01 -0.364581D+00 -0.862345D+00
      3   0.551037D+01  0.127444D+01  0.561089D+01  0.221751D+01  0.365886D+01
      4  -0.105006D+01  0.113324D+01 -0.793348D+00  0.249816D+01 -0.376777D+00
      5   0.168855D+01  0.223263D+00  0.503743D+01  0.461258D+00 -0.311263D+00
      6   0.308164D+00  0.722502D+00 -0.259486D+00  0.761132D+00  0.139825D+01
                96            97            98            99           100 
      1  -0.222973D+01 -0.343523D+01 -0.546135D+00 -0.186893D+02 -0.235079D+01
      2  -0.291695D+01 -0.301784D+01 -0.277972D+01 -0.157702D+02 -0.303020D+01
      3   0.514668D+01  0.645307D+01  0.332585D+01  0.344595D+02  0.538099D+01
      4  -0.952956D+00 -0.486921D+00 -0.287668D+01 -0.141601D+01  0.139233D+01
      5  -0.934427D-01  0.441322D+01 -0.292980D+00 -0.238098D+01  0.161514D+01
      6   0.579798D+01 -0.251020D+00  0.454773D+01 -0.732981D+00 -0.169067D+00
               101           102           103           104           105 
      1   0.137717D+01 -0.354455D+01  0.222792D+01 -0.252430D+01  0.255217D+01
      2   0.201839D+00 -0.194481D+01  0.318428D+00 -0.123705D+01  0.288452D+01
      3  -0.157901D+01  0.548936D+01 -0.254634D+01  0.376135D+01 -0.543669D+01
      4   0.198216D+01  0.833059D+00  0.243742D+01  0.106643D+01 -0.121319D+01
      5  -0.341380D+00  0.517000D+01 -0.604805D+00 -0.126940D+00  0.270473D+00
      6   0.849407D+00  0.114096D+00  0.825124D+00 -0.164837D+01  0.563587D+01
               106           107           108           109           110 
      1  -0.510836D+01  0.122367D+01 -0.191515D+02 -0.128677D+02  0.392961D+01
      2  -0.266574D+01  0.317724D+01 -0.145328D+02  0.644898D+01 -0.493790D+01
      3   0.777410D+01 -0.440091D+01  0.336842D+02  0.641877D+01  0.100830D+01
      4   0.935231D+00 -0.246173D+01  0.214735D+01 -0.167128D+02 -0.129051D+02
      5   0.424799D+01  0.231420D+00 -0.201269D+01 -0.113917D+01  0.110995D+00
      6   0.738257D+00  0.450869D+01  0.827622D+00 -0.263708D+01 -0.567047D+00
               111           112           113           114           115 
      1  -0.109717D+00  0.190924D+01 -0.656094D+01  0.755384D-01 -0.121407D+01
      2   0.127639D+00 -0.179028D+01  0.886057D+01 -0.183737D+00  0.613559D+00
      3  -0.179219D-01 -0.118961D+00 -0.229962D+01  0.108198D+00  0.600506D+00
      4  -0.977455D+00  0.117790D+01  0.189756D+01  0.106015D+00 -0.230011D+01
      5  -0.530661D+01  0.116375D+00 -0.343174D+00  0.609598D+00  0.232520D+00
      6  -0.135159D+01  0.141204D+00 -0.143213D+00  0.204259D+01 -0.333224D+00
               116           117           118           119           120 
      1   0.505437D+00 -0.265755D+01  0.804972D+01  0.668697D+01 -0.530497D+00
      2  -0.787007D+00  0.996479D+00 -0.303969D+01 -0.266639D+01  0.810002D+00
      3   0.281569D+00  0.166107D+01 -0.501003D+01 -0.402058D+01 -0.279505D+00
      4  -0.153034D+01  0.357690D+00  0.780966D+01  0.564818D+01  0.430128D-02
      5   0.736257D+00 -0.329924D+00 -0.892773D+00  0.924808D-01  0.210660D+01
      6   0.298252D+01 -0.367879D+00 -0.337397D+00  0.247525D+00  0.113654D+01
               121           122           123           124           125 
      1   0.212239D+02  0.404930D+01  0.175218D+01 -0.296981D+01 -0.114075D+00
      2  -0.116960D+02 -0.578250D+00 -0.184993D+01  0.176848D+01 -0.146073D-01
      3  -0.952793D+01 -0.347105D+01  0.977469D-01  0.120132D+01  0.128682D+00
      4   0.876161D+01  0.239574D+02 -0.109567D+01  0.282119D+00 -0.181735D+01
      5   0.228083D+01 -0.151603D+01  0.517691D+01  0.431207D+01  0.306272D+01
      6   0.132882D+01  0.938065D+00  0.441711D+00  0.806653D+00  0.178340D+01
               126           127           128           129           130 
      1   0.149603D+01 -0.522889D+01  0.867852D+01 -0.107605D+01  0.622112D+01
      2  -0.151163D+01  0.459728D+01 -0.120551D+02 -0.424965D+00 -0.575259D+01
      3   0.156066D-01  0.631608D+00  0.337663D+01  0.150101D+01 -0.468525D+00
      4   0.316857D+01 -0.575197D+01 -0.995954D+00  0.152123D+01  0.489464D+01
      5  -0.966339D-01  0.117453D+01 -0.760620D+00 -0.139894D+01 -0.110071D+01
      6   0.576071D+00  0.159227D+01  0.247941D+01 -0.193344D+01 -0.708215D+00
               131           132           133           134           135 
      1  -0.183631D+02  0.297997D+00  0.228902D+01 -0.208042D+01 -0.287051D+01
      2   0.275739D+02  0.634645D+00 -0.133533D+01  0.322566D+01  0.292306D+01
      3  -0.921084D+01 -0.932642D+00 -0.953689D+00 -0.114524D+01 -0.525571D-01
      4   0.463708D+01 -0.802172D+00  0.133292D+01  0.169653D+01  0.184494D+00
      5   0.645996D+00  0.187117D+01  0.104544D+01  0.743855D+00  0.136914D+01
      6  -0.203711D+01  0.481104D+01 -0.230287D+00  0.471590D+01  0.520960D-02
               136           137           138           139           140 
      1   0.143345D+02  0.266867D+01  0.287608D+01 -0.400424D+01  0.351260D+01
      2  -0.449674D+01 -0.842511D+01 -0.256231D+00  0.252924D+00 -0.607377D+00
      3  -0.983777D+01  0.575644D+01 -0.261985D+01  0.375132D+01 -0.290523D+01
      4  -0.181100D+02  0.154159D+02 -0.271094D+00  0.602460D+01 -0.418369D+01
      5  -0.698930D+00  0.193527D+01  0.335401D+01 -0.518285D+00  0.118414D+01
      6  -0.129575D+01 -0.172813D+01 -0.508067D+01  0.984166D-01 -0.110343D+01
               141           142           143           144 
      1   0.449965D+00  0.149678D+01  0.304061D+01  0.113066D+01
      2  -0.300495D+00 -0.478991D+00 -0.413160D+01 -0.123264D+01
      3  -0.149470D+00 -0.101779D+01  0.109099D+01  0.101984D+00
      4   0.122859D+01 -0.441810D+01  0.386583D+01 -0.325414D+01
      5  -0.189559D+01  0.374484D+01 -0.224507D+01  0.721955D+00
      6   0.954187D+00 -0.230456D+01  0.256693D+01 -0.215176D+01
 Leave Link  716 at Thu Jul 22 18:59:29 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.891159D+02  0.762505D-01  0.253414D+01
      2   0.762505D-01  0.797913D+02 -0.493388D+00
      3   0.253414D+01 -0.493388D+00  0.544090D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466216D+01 -0.808098D+00 -0.546254D+01
      2  -0.160336D+01 -0.528469D+01 -0.338845D+01
      3  -0.137883D+02 -0.592917D+00  0.129499D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.107647D+02  0.203846D+02 -0.411749D+01
      2   0.475593D+01 -0.111283D+02  0.344622D+01
      3   0.600879D+01 -0.925630D+01  0.671264D+00
      4   0.182828D+02 -0.345269D+01 -0.117769D+02
      5  -0.402095D+01 -0.961385D+01 -0.340716D+01
      6  -0.840386D+01  0.507301D+00  0.894689D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.273321D+01 -0.987040D+00 -0.100005D+00  0.275377D+01  0.111556D+01
      2  -0.987040D+00  0.248991D+01 -0.336094D+00  0.111556D+01  0.549791D+01
      3  -0.100005D+00 -0.336094D+00  0.594575D+00 -0.344532D+00 -0.374573D+00
                 6             7             8             9            10 
      1  -0.344532D+00 -0.236854D+01  0.631579D+00  0.395524D+00 -0.240509D+01
      2  -0.374573D+00  0.631579D+00 -0.977839D+00 -0.211990D+00 -0.186326D+01
      3  -0.133992D+00  0.395524D+00 -0.211990D+00 -0.786263D+00  0.237904D+00
                11            12            13            14            15 
      1  -0.186326D+01  0.237904D+00 -0.613705D+01  0.201228D+00 -0.607877D-02
      2  -0.972459D+00  0.111845D+00  0.201228D+00 -0.119576D+02  0.676974D+00
      3   0.111845D+00 -0.508990D+00 -0.607877D-02  0.676974D+00 -0.195185D+01
                16            17            18            19            20 
      1   0.109451D+01 -0.419847D-01 -0.234241D+00  0.969823D+01  0.171020D+00
      2  -0.419847D-01  0.913494D+00 -0.262473D+01  0.171020D+00  0.512406D+00
      3  -0.234241D+00 -0.262473D+01  0.934932D+00  0.559005D+00  0.175416D+00
                21            22            23            24            25 
      1   0.559005D+00 -0.189579D+01  0.952112D+00 -0.158559D+00  0.213095D+01
      2   0.175416D+00  0.952112D+00 -0.363305D+01  0.722928D+00 -0.259637D+00
      3   0.114753D+01 -0.158559D+00  0.722928D+00 -0.107740D+00  0.232768D+01
                26            27            28            29            30 
      1  -0.259637D+00  0.232768D+01  0.605509D+01 -0.120016D+01 -0.641711D+00
      2   0.925196D+00  0.408380D+00 -0.120016D+01 -0.598404D+00  0.455041D+00
      3   0.408380D+00  0.966301D+00 -0.641711D+00  0.455041D+00  0.236289D+01
                31            32            33            34            35 
      1  -0.111225D+01 -0.204398D+01  0.100223D+01 -0.291502D+01  0.765902D+00
      2  -0.204398D+01 -0.143044D+01  0.382637D+00  0.765902D+00  0.204057D+00
      3   0.100223D+01  0.382637D+00  0.184356D+01  0.287339D+01  0.518363D+00
                36            37            38            39            40 
      1   0.287339D+01 -0.608585D+01  0.187632D+01  0.545324D+00 -0.168747D+00
      2   0.518363D+00  0.187632D+01  0.109140D+01  0.590835D+00  0.197016D+01
      3   0.505203D+01  0.545324D+00  0.590835D+00 -0.219878D+01  0.112101D+01
                41            42            43            44            45 
      1   0.197016D+01  0.112101D+01  0.310110D+01 -0.110962D+00 -0.281631D+01
      2  -0.124226D+00 -0.202087D+00 -0.110962D+00  0.353343D+00  0.137860D+01
      3  -0.202087D+00  0.197854D+01 -0.281631D+01  0.137860D+01 -0.488043D+01
                46            47            48            49            50 
      1   0.751551D+01 -0.231278D+01  0.915142D+00 -0.529210D+01 -0.144374D+01
      2  -0.231278D+01  0.115248D+01 -0.722100D-01 -0.144374D+01  0.435629D+00
      3   0.915142D+00 -0.722100D-01  0.667960D+00 -0.938468D+00 -0.197954D+00
                51            52            53            54            55 
      1  -0.938468D+00  0.180185D+01 -0.113330D+00  0.225555D+00 -0.153332D+02
      2  -0.197954D+00 -0.113330D+00  0.751518D+00 -0.772863D+00  0.173118D+01
      3  -0.145315D+01  0.225555D+00 -0.772863D+00  0.847176D+00 -0.128512D+01
                56            57            58            59            60 
      1   0.173118D+01 -0.128512D+01  0.292866D+01 -0.215050D+01  0.381462D+00
      2  -0.395075D+01  0.535887D-01 -0.215050D+01  0.220435D+01 -0.284433D+00
      3   0.535887D-01 -0.233794D+01  0.381462D+00 -0.284433D+00  0.108717D+01
                61            62            63            64            65 
      1  -0.227747D+01  0.165782D+00 -0.342098D+01  0.512914D+01  0.124475D+01
      2   0.165782D+00 -0.100703D+01  0.712073D+00  0.124475D+01  0.433094D+01
      3  -0.342098D+01  0.712073D+00 -0.170573D+01 -0.698694D+00 -0.564466D+00
                66            67            68            69            70 
      1  -0.698694D+00  0.178019D+00  0.299769D+01 -0.378398D+00 -0.688334D+00
      2  -0.564466D+00  0.299769D+01  0.253420D+01 -0.110318D+01 -0.569409D-01
      3   0.461179D+00 -0.378398D+00 -0.110318D+01 -0.328177D+00  0.700947D+00
                71            72            73            74            75 
      1  -0.569409D-01  0.700947D+00  0.280175D+01  0.111243D+01  0.660705D+00
      2  -0.121038D+01  0.125080D+01  0.111243D+01  0.198722D+01 -0.232465D+00
      3   0.125080D+01 -0.716650D+00  0.660705D+00 -0.232465D+00  0.101962D+01
                76            77            78            79            80 
      1   0.168590D+01 -0.861181D+00 -0.768459D+00  0.147263D+01 -0.498013D+00
      2  -0.861181D+00  0.616603D+01  0.136628D+01 -0.498013D+00  0.196691D+01
      3  -0.768459D+00  0.136628D+01  0.463528D+00 -0.394975D+00  0.159297D+01
                81            82            83            84            85 
      1  -0.394975D+00 -0.852245D+01 -0.133060D+01 -0.739058D+00  0.121357D+01
      2   0.159297D+01 -0.133060D+01 -0.161098D+01 -0.653194D-01 -0.603942D+00
      3   0.113661D+01 -0.739058D+00 -0.653194D-01 -0.238687D+00  0.434042D+00
                86            87            88            89            90 
      1  -0.603942D+00  0.434042D+00 -0.138907D+01  0.606735D-01 -0.156622D-01
      2  -0.759266D+01 -0.291103D+00  0.606735D-01 -0.793509D+00 -0.198260D+01
      3  -0.291103D+00 -0.906138D+00 -0.156622D-01 -0.198260D+01 -0.504130D+00
                91            92            93            94            95 
      1  -0.202091D+01 -0.240313D+00 -0.118824D+01 -0.367531D+00  0.184598D+00
      2  -0.240313D+00 -0.372712D+00 -0.835962D-01  0.184598D+00 -0.499362D+00
      3  -0.118824D+01 -0.835962D-01 -0.182063D+01 -0.287677D+00 -0.125370D+01
                96            97            98            99           100 
      1  -0.287677D+00 -0.152417D+01 -0.418212D+00 -0.114497D+01  0.205259D+01
      2  -0.125370D+01 -0.418212D+00 -0.178492D+01 -0.600396D+00 -0.523379D+00
      3  -0.108180D+01 -0.114497D+01 -0.600396D+00 -0.772093D+01  0.121972D+01
               101           102           103           104           105 
      1  -0.523379D+00  0.121972D+01 -0.620526D+00 -0.155676D+00 -0.280667D+00
      2   0.993134D-01 -0.160637D+00 -0.155676D+00 -0.575575D+00  0.125735D+01
      3  -0.160637D+00  0.175795D+01 -0.280667D+00  0.125735D+01 -0.119388D+01
               106           107           108           109           110 
      1   0.154122D+01 -0.249085D+00  0.140066D+01  0.933275D+01 -0.577571D+00
      2  -0.249085D+00  0.160096D+01 -0.832116D+00 -0.577571D+00  0.142582D+01
      3   0.140066D+01 -0.832116D+00  0.761799D+01  0.465064D+00  0.211775D+00
               111           112           113           114           115 
      1   0.465064D+00 -0.690963D+00  0.363270D+00 -0.461187D-01  0.134913D+01
      2   0.211775D+00  0.363270D+00 -0.192595D+01  0.505849D-01 -0.102431D+00
      3   0.383189D+00 -0.461187D-01  0.505849D-01 -0.598362D+00  0.149665D-01
               116           117           118           119           120 
      1  -0.102431D+00  0.149665D-01  0.183683D+01  0.136638D+01 -0.129185D+00
      2   0.302725D+00 -0.587491D+00  0.136638D+01  0.734471D+00  0.122771D+00
      3  -0.587491D+00  0.773649D-01 -0.129185D+00  0.122771D+00  0.645978D+00
               121           122           123           124           125 
      1   0.409986D+01  0.122261D+01  0.501912D+00 -0.421483D+00  0.109614D+00
      2   0.122261D+01  0.479162D+01 -0.377244D+00  0.109614D+00 -0.430245D+00
      3   0.501912D+00 -0.377244D+00  0.809249D+00  0.689452D+00  0.486071D+00
               126           127           128           129           130 
      1   0.689452D+00 -0.232796D+01  0.598471D+00  0.608204D+00  0.240982D+01
      2   0.486071D+00  0.598471D+00 -0.249752D+01  0.827618D-01 -0.706513D+00
      3   0.136243D+00  0.608204D+00  0.827618D-01 -0.533979D+00 -0.284371D+00
               131           132           133           134           135 
      1  -0.706513D+00 -0.284371D+00  0.734208D+00 -0.452818D-01 -0.157641D-01
      2   0.567089D+01 -0.581419D-01 -0.452818D-01  0.592617D+00  0.844229D+00
      3  -0.581419D-01  0.123134D+01 -0.157641D-01  0.844229D+00 -0.483287D-01
               136           137           138           139           140 
      1  -0.499318D+01  0.934564D+00 -0.429062D+00  0.101535D+01 -0.104170D+01
      2   0.934564D+00 -0.382113D+01 -0.289246D+00 -0.104170D+01  0.438269D+00
      3  -0.429062D+00 -0.289246D+00 -0.140188D+01  0.526748D-01 -0.314343D+00
               141           142           143           144 
      1   0.526748D-01 -0.164151D+01  0.162328D+00 -0.585272D+00
      2  -0.314343D+00  0.162328D+00 -0.140689D+01  0.420700D+00
      3   0.341699D+00 -0.585272D+00  0.420700D+00 -0.406183D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.127757D+00 -0.194163D+01  0.130612D+01 -0.394293D+01  0.272714D+01
      2   0.364417D+01 -0.321406D+01 -0.449509D+01 -0.538022D+01  0.531117D+00
      3   0.879681D+00 -0.423854D+01  0.244375D+01 -0.728036D+01 -0.722838D+01
                 6             7             8             9            10 
      1   0.792724D+01 -0.664581D+00  0.978652D+01 -0.286093D+01  0.258128D+00
      2  -0.857840D-02 -0.146827D+02  0.238811D+01 -0.466452D+01 -0.314441D+00
      3   0.204553D+01  0.523817D+01  0.316301D+01 -0.124109D+01  0.602168D+01
                11            12            13            14            15 
      1   0.423821D+00 -0.449539D+00 -0.855010D-01  0.473802D+00 -0.106617D+02
      2   0.681122D+00  0.319313D+01  0.880345D+00  0.975964D+00 -0.175074D+01
      3  -0.144164D+01 -0.107417D+01  0.180728D+02  0.182515D+02 -0.117523D+01
                16            17            18            19            20 
      1   0.154533D+01 -0.523766D+00  0.230320D+01  0.751327D+00  0.610263D+00
      2  -0.221262D+01 -0.549294D+01  0.217382D+01  0.103399D+01  0.695186D+00
      3  -0.303031D+01 -0.135188D+01  0.524271D+01 -0.308011D+01 -0.882438D+01
                21            22            23            24            25 
      1  -0.507553D+00  0.836323D+00 -0.185227D+01 -0.203251D+01  0.195968D+01
      2   0.893813D+01  0.115335D+01  0.215256D+01 -0.143263D+01  0.527404D+01
      3  -0.760928D+00  0.416789D-02  0.159441D+02 -0.296041D+01 -0.130022D+01
                26            27            28            29            30 
      1   0.172470D+01  0.475362D+00  0.409370D+00  0.121576D+01  0.199077D+01
      2  -0.158030D+01  0.369418D+01 -0.329501D+01  0.100397D+01  0.350736D+01
      3  -0.455519D+01 -0.179176D+01  0.711726D+00 -0.354184D+01 -0.277011D-01
                31            32            33            34            35 
      1   0.353855D+01  0.288347D+00 -0.212529D+01 -0.244592D+01  0.265393D+01
      2   0.311771D+01 -0.436442D+00 -0.181090D+01 -0.332927D+01  0.119651D+01
      3   0.473054D+01  0.198981D+01 -0.120349D+01 -0.150521D+01 -0.317442D+00
                36            37            38            39            40 
      1  -0.189350D+01 -0.763272D+00  0.245808D+01 -0.157100D+01  0.114951D+01
      2   0.368411D+01 -0.196037D+01 -0.697740D+00  0.305564D+01 -0.268400D+01
      3  -0.242176D+00  0.126048D+01 -0.131469D+01 -0.267420D+00  0.625804D+01
                41            42            43            44            45 
      1  -0.114808D-01 -0.180087D+01  0.154589D+01  0.206296D+01  0.253297D+01
      2  -0.981149D+00  0.111855D+01 -0.398070D+01 -0.250971D+01  0.336208D+01
      3   0.861365D+00  0.637764D+00  0.240674D+01 -0.106852D+01  0.854420D+00
                46            47            48            49            50 
      1   0.363442D+00 -0.549435D+01 -0.197049D+01 -0.426911D+01 -0.304186D+01
      2   0.398303D+01  0.297283D+01 -0.860752D+01  0.510531D+01  0.205781D+01
      3  -0.504690D+01  0.904711D+01 -0.116691D+01  0.251617D+01 -0.383117D+01
                51            52            53            54            55 
      1   0.578060D+01  0.239946D+01  0.131480D+02  0.242567D+01 -0.132353D+01
      2   0.282263D+01 -0.140446D+02 -0.260936D+01 -0.558408D+01  0.642443D+00
      3   0.188362D+01 -0.244215D+01  0.626438D+01 -0.850581D+00  0.943853D+01
                56            57            58            59            60 
      1   0.250575D+01  0.849341D+00  0.124525D+01 -0.400777D+00 -0.360801D+01
      2  -0.624519D+00  0.139946D+02 -0.167397D+01 -0.165937D+00 -0.227954D+01
      3  -0.213753D+02  0.621550D+00 -0.216179D+01  0.988643D+01 -0.760771D+00
                61            62            63            64            65 
      1  -0.284331D+01  0.147814D+01 -0.997497D+00  0.198478D+01 -0.221955D+01
      2   0.526878D+01  0.984382D+00  0.538492D+01  0.182560D+01 -0.491141D-01
      3   0.107188D+01 -0.484731D+01  0.341146D+01  0.142006D+02 -0.105791D+02
                66            67            68            69            70 
      1  -0.338308D+01 -0.270541D+01 -0.692920D+00 -0.344180D+01 -0.132412D+01
      2   0.386355D+01 -0.161659D+00 -0.341058D+00  0.210584D+01 -0.200374D+01
      3  -0.178660D+01 -0.382293D+01  0.230270D+01  0.206421D+01 -0.374546D+01
                71            72            73            74            75 
      1   0.334468D+01  0.103098D+01 -0.130540D+01 -0.782845D+00 -0.806474D+00
      2   0.115890D+01 -0.112014D+01 -0.175728D+01 -0.174247D+01  0.117425D+01
      3   0.189327D+01  0.984633D-02  0.130801D+02  0.717181D+01  0.286222D+01
                76            77            78            79            80 
      1  -0.833503D-01  0.295738D+01 -0.598651D+01 -0.157291D+00  0.147596D+01
      2  -0.669462D+00 -0.726118D+00 -0.224824D+01 -0.325282D+01 -0.172480D+00
      3   0.874837D+01  0.762699D+01  0.204350D+00  0.508599D+01  0.374723D+01
                81            82            83            84            85 
      1  -0.179383D+01 -0.158018D+01  0.138127D+01 -0.753490D+00  0.266880D+00
      2  -0.179382D+01 -0.323135D-02 -0.102331D+00  0.369474D+01 -0.129970D+01
      3   0.174956D+01  0.247179D+02 -0.687568D+01  0.174726D+01  0.431806D+01
                86            87            88            89            90 
      1  -0.336385D+00 -0.769167D+01 -0.212067D+01 -0.239872D+01 -0.179956D+01
      2   0.131283D+00  0.127599D+00 -0.920209D+00  0.437363D+01  0.141886D+01
      3  -0.871038D+01 -0.959268D+00  0.500053D+01 -0.226739D+01 -0.341284D+01
                91            92            93            94            95 
      1   0.101189D+01  0.921109D+00  0.682103D+00  0.893005D+00  0.750088D+00
      2  -0.224738D+01 -0.588501D+00 -0.551160D+00 -0.138811D+01 -0.121894D+01
      3  -0.645859D+00 -0.205301D+00 -0.288238D+00  0.111547D+01  0.230339D+00
                96            97            98            99           100 
      1   0.604671D+00  0.721506D+00  0.345958D+01  0.225485D+01 -0.104393D+01
      2  -0.637502D+00 -0.345175D+01 -0.361533D+00 -0.450175D+01 -0.206439D+01
      3   0.840585D+00 -0.243543D+00  0.485671D+00 -0.216214D+00  0.121992D+00
               101           102           103           104           105 
      1   0.731744D+00 -0.819596D+00  0.723063D+00 -0.136334D+01  0.558150D+00
      2   0.475088D+00 -0.497974D+00  0.140461D+01 -0.849362D+00  0.623225D+00
      3  -0.889255D+00  0.320534D+00  0.892969D+00 -0.804449D+00  0.745615D+00
               106           107           108           109           110 
      1  -0.981232D+00  0.320294D+01 -0.279975D+01  0.142276D+01 -0.521287D+00
      2  -0.388511D+01  0.888005D+00 -0.430699D+01  0.253726D+00 -0.286420D+00
      3  -0.300247D+00  0.219798D+00 -0.238592D+00 -0.301786D+02  0.810850D+01
               111           112           113           114           115 
      1   0.108859D+01 -0.561864D+00  0.631036D-01 -0.680379D+00  0.526102D+00
      2  -0.300429D+01  0.147410D-01 -0.599595D-01  0.316843D+00 -0.293613D+01
      3  -0.139813D+01  0.504971D+01 -0.240033D+01  0.216984D+00 -0.421980D+01
               116           117           118           119           120 
      1   0.351736D+00  0.279769D+00  0.516381D+00 -0.456184D+00 -0.860242D+00
      2   0.445545D+00 -0.211776D+00 -0.245315D+00 -0.406039D-01  0.745312D+00
      3   0.116663D+01 -0.326753D+00 -0.487936D+01 -0.679628D+00 -0.620835D+00
               121           122           123           124           125 
      1   0.760973D-02  0.228285D+01 -0.529157D+00  0.935196D-01  0.101518D+01
      2   0.863198D+00 -0.184614D+01  0.337364D+01  0.333581D+00  0.205520D+01
      3  -0.124000D+01 -0.217149D+02  0.229993D+01 -0.164396D+00  0.274096D+01
               126           127           128           129           130 
      1  -0.286708D+00 -0.321102D+01  0.155791D+01  0.201957D+01  0.149265D+01
      2  -0.348170D+00 -0.109371D+01  0.252223D+00 -0.750202D+00  0.628385D+00
      3  -0.125430D+01 -0.125075D+02  0.579970D+01  0.288005D+01  0.100113D+02
               131           132           133           134           135 
      1  -0.243983D+01 -0.313781D+01  0.303317D+00 -0.137726D+01 -0.611131D+00
      2  -0.329008D+00  0.693755D+00 -0.120623D+01  0.549934D+00  0.820302D+00
      3  -0.950527D+01 -0.123374D+01  0.391860D+01 -0.168827D+01 -0.992587D+00
               136           137           138           139           140 
      1   0.238151D+01 -0.389857D+00  0.318497D+01  0.228616D+00  0.843228D+00
      2   0.286488D+01  0.101828D+01  0.294392D+01  0.894709D-01  0.110538D+01
      3  -0.141324D+02 -0.100580D+02 -0.323737D+01 -0.265462D+01 -0.286091D+01
               141           142           143           144 
      1  -0.379396D+00  0.148045D+01  0.491667D+00  0.149304D+01
      2  -0.101396D+01  0.471543D+00 -0.135142D+01  0.726150D+00
      3  -0.137885D+01 -0.577055D+01 -0.358496D+01 -0.701099D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.227720D+02  0.684603D+00 -0.829927D+00 -0.290340D+01  0.235981D+02
      2   0.139011D+02 -0.401195D+01  0.251285D+01  0.200415D+01 -0.305068D+02
      3   0.887091D+01  0.332735D+01 -0.168293D+01  0.899249D+00  0.690865D+01
      4  -0.706222D+01  0.206251D+01 -0.136071D+01 -0.531838D+01  0.103186D+02
      5  -0.253867D+01 -0.237341D+01 -0.756946D+01 -0.894675D-01  0.500636D+00
      6   0.329349D+00 -0.170265D+00 -0.481802D+01  0.106862D+00  0.167649D+01
                 6             7             8             9            10 
      1  -0.336502D+01 -0.946659D+01 -0.534054D+01 -0.293686D+01 -0.141465D+01
      2   0.155691D+00  0.672645D+01  0.419507D+01 -0.634477D+01  0.549156D+01
      3   0.320933D+01  0.274013D+01  0.114547D+01  0.928162D+01 -0.407691D+01
      4  -0.998808D+00  0.517973D+00 -0.182274D+01 -0.122639D+01 -0.396121D+01
      5  -0.206246D+01  0.324421D+01  0.842029D+00 -0.493886D+01  0.107750D+00
      6  -0.919294D+01 -0.655839D+00  0.215623D+01  0.361845D+01 -0.974638D+00
                11            12            13            14            15 
      1  -0.832236D+01  0.920646D+00 -0.130444D+02 -0.351951D+02  0.143771D+01
      2   0.708455D+01 -0.898833D+00  0.719437D+01  0.537380D+02 -0.894983D+00
      3   0.123782D+01 -0.218125D-01  0.584998D+01 -0.185429D+02 -0.542731D+00
      4   0.154328D+02 -0.722837D+00  0.163676D+02 -0.291023D+02  0.140846D+01
      5  -0.145580D+00  0.500294D+01 -0.159998D+01 -0.171620D+00 -0.425427D+01
      6  -0.526552D+00  0.135101D+01 -0.871152D+00 -0.288082D+01  0.158489D+02
                16            17            18            19            20 
      1   0.281904D+01  0.383504D+01 -0.950411D+01  0.683235D+02  0.140291D+01
      2  -0.244727D+01 -0.270856D+01  0.691342D+01 -0.410485D+02 -0.789675D+00
      3  -0.371765D+00 -0.112648D+01  0.259069D+01 -0.272750D+02 -0.613237D+00
      4  -0.121806D+01  0.153231D+01 -0.771858D+01  0.841336D+00  0.977361D+01
      5   0.394372D+01 -0.860223D+01  0.251395D+01  0.490652D+01  0.164814D+01
      6   0.173253D+00  0.139727D+02 -0.422224D+01  0.868987D+00  0.460391D+00
                21            22            23            24            25 
      1   0.291406D+01 -0.793877D+01  0.390773D+01 -0.462086D+00  0.806675D+01
      2  -0.274103D+01  0.385106D+01 -0.603314D+00  0.779636D+00 -0.722641D+01
      3  -0.173027D+00  0.408771D+01 -0.330442D+01 -0.317550D+00 -0.840334D+00
      4   0.127406D+01  0.117368D+02 -0.168894D+02  0.352909D+01  0.188551D+01
      5   0.173276D+02 -0.254870D+00  0.357786D+01 -0.578790D+00  0.196941D+02
      6   0.130133D+01  0.161156D+00  0.902451D-01  0.415685D+01 -0.148007D+01
                26            27            28            29            30 
      1   0.147081D+01  0.102533D+02  0.213914D+00  0.560495D+01  0.139280D+01
      2  -0.927052D-01 -0.112220D+02  0.166118D+01 -0.571763D+01  0.402484D+01
      3  -0.137810D+01  0.968713D+00 -0.187509D+01  0.112678D+00 -0.541764D+01
      4   0.373762D+01 -0.530129D+00 -0.295223D+01 -0.319099D+01  0.186018D+00
      5   0.121298D+01  0.756215D+01 -0.121392D+01  0.196687D+01  0.401934D+00
      6   0.374972D+01 -0.304660D+00 -0.116220D+01  0.169426D+01 -0.374549D+01
                31            32            33            34            35 
      1   0.158712D+01 -0.841261D+00  0.429271D+01  0.280067D+01  0.240410D+01
      2   0.236482D+00 -0.233499D+01  0.337043D+01  0.337934D+01 -0.503151D+00
      3  -0.182360D+01  0.317625D+01 -0.766314D+01 -0.618001D+01 -0.190094D+01
      4  -0.951352D+01 -0.899844D+01  0.230999D+01 -0.128252D+01  0.349187D+01
      5   0.161485D+01  0.166677D+01 -0.391539D+01  0.166149D+01  0.232799D+01
      6   0.196378D+01  0.193478D+01 -0.474534D+01  0.360170D+01  0.123556D+01
                36            37            38            39            40 
      1   0.839876D+01  0.135817D+01 -0.680699D+01  0.273796D+01 -0.153439D+00
      2   0.809369D+01 -0.127849D+01  0.471269D+01  0.198498D+01 -0.245158D+01
      3  -0.164925D+02 -0.796809D-01  0.209430D+01 -0.472294D+01  0.260502D+01
      4   0.570456D+01  0.752148D+00 -0.366133D+01 -0.363155D+00 -0.837528D+01
      5   0.827549D+00 -0.150765D+00 -0.134538D+01 -0.239573D+00 -0.139078D+01
      6  -0.858861D+00  0.952875D+00  0.588844D+00  0.443991D+01  0.338938D+01
                41            42            43            44            45 
      1  -0.124133D+00 -0.398429D+01  0.560196D+01 -0.277297D+01  0.857861D+01
      2  -0.342191D+01 -0.334596D+01  0.239364D+01 -0.148686D+01  0.681334D+01
      3   0.354604D+01  0.733025D+01 -0.799559D+01  0.425983D+01 -0.153920D+02
      4   0.230354D+01  0.287364D+01 -0.371289D+00  0.210270D+01 -0.652486D+01
      5   0.506466D+00  0.381029D+01  0.122219D+01 -0.287220D+01  0.583219D+00
      6  -0.230929D+01 -0.481499D+01 -0.352103D+01  0.180660D+01  0.522450D+00
                46            47            48            49            50 
      1  -0.480205D+02  0.289136D+01 -0.312778D+01  0.220418D+02  0.168876D+02
      2   0.314271D+02  0.203770D+01  0.554779D+01 -0.134236D+02 -0.200283D+02
      3   0.165935D+02 -0.492906D+01 -0.242001D+01 -0.861815D+01  0.314070D+01
      4   0.847373D+01 -0.121460D+02  0.260322D+00  0.400188D+01  0.298449D+01
      5  -0.614274D+01  0.127296D+01 -0.137629D+02  0.363625D+01  0.149897D+01
      6   0.257338D+00 -0.463473D+00  0.476492D+01  0.204734D+01 -0.538852D-01
                51            52            53            54            55 
      1   0.447725D+01 -0.116726D+02  0.474872D+01 -0.679584D+01  0.984719D+02
      2  -0.130087D+01  0.862740D+01 -0.233390D+01 -0.256865D+01 -0.589902D+02
      3  -0.317638D+01  0.304522D+01 -0.241482D+01  0.936449D+01 -0.394817D+02
      4   0.125624D+01  0.203898D+01 -0.402113D+01  0.262696D+01 -0.513553D+01
      5   0.668120D+01  0.156907D+01  0.127768D+01 -0.713894D+01  0.945335D+01
      6  -0.806255D+01  0.122559D+00  0.266812D+01 -0.227937D+01 -0.101160D+01
                56            57            58            59            60 
      1  -0.905572D+01  0.555630D+01 -0.133936D+02  0.757522D+01 -0.189093D+01
      2   0.626916D+01 -0.554127D+01  0.941536D+01 -0.723509D+00  0.152972D+01
      3   0.278656D+01 -0.150324D-01  0.397823D+01 -0.685171D+01  0.361212D+00
      4   0.254961D+02 -0.460921D+00  0.183813D+02 -0.757892D+01  0.230189D+01
      5  -0.133497D+01  0.247191D+02 -0.247373D+01  0.217144D+01 -0.545071D+01
      6   0.149423D+01 -0.148861D+01  0.111670D+01 -0.350110D-01  0.560465D+01
                61            62            63            64            65 
      1   0.102202D+02 -0.242196D+01  0.148400D+02  0.140452D+02 -0.103310D+02
      2  -0.938548D+01  0.148094D+01 -0.145822D+02 -0.654545D+01  0.180484D+02
      3  -0.834743D+00  0.941014D+00 -0.257762D+00 -0.749976D+01 -0.771739D+01
      4  -0.267559D+01  0.517053D+01 -0.148062D+01  0.167086D+02  0.156295D+02
      5   0.256670D+02 -0.298057D+01  0.118762D+02 -0.263125D+01 -0.168239D+01
      6   0.170588D+01  0.438560D+01  0.334566D+00 -0.327330D+01 -0.370602D+01
                66            67            68            69            70 
      1   0.559806D+00 -0.612844D+01 -0.203651D+01  0.124338D+01 -0.653548D+00
      2  -0.111799D+01  0.941376D+01  0.837195D+01 -0.355726D+01  0.161004D+01
      3   0.558179D+00 -0.328532D+01 -0.633544D+01  0.231387D+01 -0.956491D+00
      4  -0.323593D+01  0.147421D+02  0.193344D+02 -0.221104D+01 -0.171854D+01
      5   0.766199D+01 -0.106322D+01 -0.442642D+01  0.422906D+01  0.531751D+01
      6   0.549079D+01 -0.195025D+01 -0.523602D+01  0.988005D+01  0.337325D+01
                71            72            73            74            75 
      1   0.506967D+01 -0.426236D+01 -0.360041D+01 -0.243842D+01 -0.270113D+01
      2  -0.358286D+01 -0.532542D+00  0.304017D+01  0.206295D+01  0.527399D-01
      3  -0.148682D+01  0.479490D+01  0.560236D+00  0.375463D+00  0.264839D+01
      4  -0.292548D+01  0.458389D+01  0.414611D+01 -0.629962D+00  0.213279D+01
      5   0.308310D+01 -0.353076D+01 -0.227416D+01 -0.248379D-01  0.489968D+01
      6   0.763232D+01 -0.400087D+01  0.331189D+01 -0.102172D+01 -0.124595D+00
                76            77            78            79            80 
      1  -0.206065D+01 -0.188093D+02 -0.221936D+01 -0.207807D+01 -0.574591D+01
      2  -0.600111D+00  0.292033D+02  0.309803D+01  0.139974D+01  0.474539D+01
      3   0.266076D+01 -0.103940D+02 -0.878666D+00  0.678331D+00  0.100053D+01
      4   0.132911D+02 -0.191784D+02 -0.477311D+01  0.505432D+01 -0.619087D+01
      5   0.190697D+01 -0.393030D+01 -0.564140D+01  0.445478D+01 -0.325451D+01
      6  -0.370289D+01  0.784130D+01  0.125610D+02 -0.180792D+01  0.879867D+01
                81            82            83            84            85 
      1  -0.671064D+01  0.120690D+02  0.401335D+01  0.166104D+01 -0.378211D+01
      2   0.164480D+01 -0.382797D+01 -0.147182D+01 -0.153446D+01  0.349390D+01
      3   0.506585D+01 -0.824102D+01 -0.254153D+01 -0.126588D+00  0.288215D+00
      4  -0.341481D+01  0.206883D+02  0.207467D+02  0.148027D+01  0.800801D+01
      5  -0.402877D+01  0.127069D+01  0.265186D+00  0.700519D+01 -0.920674D+00
      6   0.575109D+01  0.324017D+01 -0.353363D+00  0.203315D+00 -0.217326D+01
                86            87            88            89            90 
      1  -0.254736D+02 -0.209856D+01  0.161441D+01 -0.294713D+01 -0.739137D+01
      2   0.395444D+02  0.123966D+01 -0.165099D+01  0.192559D+01  0.463998D+01
      3  -0.140708D+02  0.858908D+00  0.365854D-01  0.102154D+01  0.275139D+01
      4   0.198848D+02 -0.432815D+00  0.242408D+01  0.204892D+01  0.679203D+01
      5  -0.926545D+00  0.124336D+01  0.434582D+01  0.680577D+01  0.153758D+01
      6   0.107463D+01  0.134901D+02  0.138651D+00  0.122805D+02  0.278977D+01
                91            92            93            94            95 
      1  -0.178968D+01 -0.881978D+00 -0.332020D+01 -0.185293D+01 -0.279652D+01
      2  -0.372069D+01 -0.392462D+00 -0.229069D+01 -0.364581D+00 -0.862345D+00
      3   0.551037D+01  0.127444D+01  0.561089D+01  0.221751D+01  0.365886D+01
      4  -0.105006D+01  0.113324D+01 -0.793348D+00  0.249816D+01 -0.376777D+00
      5   0.168855D+01  0.223263D+00  0.503743D+01  0.461258D+00 -0.311263D+00
      6   0.308164D+00  0.722502D+00 -0.259486D+00  0.761132D+00  0.139825D+01
                96            97            98            99           100 
      1  -0.222973D+01 -0.343523D+01 -0.546135D+00 -0.186893D+02 -0.235079D+01
      2  -0.291695D+01 -0.301784D+01 -0.277972D+01 -0.157702D+02 -0.303020D+01
      3   0.514668D+01  0.645307D+01  0.332585D+01  0.344595D+02  0.538099D+01
      4  -0.952956D+00 -0.486921D+00 -0.287668D+01 -0.141601D+01  0.139233D+01
      5  -0.934427D-01  0.441322D+01 -0.292980D+00 -0.238098D+01  0.161514D+01
      6   0.579798D+01 -0.251020D+00  0.454773D+01 -0.732981D+00 -0.169067D+00
               101           102           103           104           105 
      1   0.137717D+01 -0.354455D+01  0.222792D+01 -0.252430D+01  0.255217D+01
      2   0.201839D+00 -0.194481D+01  0.318428D+00 -0.123705D+01  0.288452D+01
      3  -0.157901D+01  0.548936D+01 -0.254634D+01  0.376135D+01 -0.543669D+01
      4   0.198216D+01  0.833059D+00  0.243742D+01  0.106643D+01 -0.121319D+01
      5  -0.341380D+00  0.517000D+01 -0.604805D+00 -0.126940D+00  0.270473D+00
      6   0.849407D+00  0.114096D+00  0.825124D+00 -0.164837D+01  0.563587D+01
               106           107           108           109           110 
      1  -0.510836D+01  0.122367D+01 -0.191515D+02 -0.128677D+02  0.392961D+01
      2  -0.266574D+01  0.317724D+01 -0.145328D+02  0.644898D+01 -0.493790D+01
      3   0.777410D+01 -0.440091D+01  0.336842D+02  0.641877D+01  0.100830D+01
      4   0.935231D+00 -0.246173D+01  0.214735D+01 -0.167128D+02 -0.129051D+02
      5   0.424799D+01  0.231420D+00 -0.201269D+01 -0.113917D+01  0.110995D+00
      6   0.738257D+00  0.450869D+01  0.827622D+00 -0.263708D+01 -0.567047D+00
               111           112           113           114           115 
      1  -0.109717D+00  0.190924D+01 -0.656094D+01  0.755384D-01 -0.121407D+01
      2   0.127639D+00 -0.179028D+01  0.886057D+01 -0.183737D+00  0.613559D+00
      3  -0.179219D-01 -0.118961D+00 -0.229962D+01  0.108198D+00  0.600506D+00
      4  -0.977455D+00  0.117790D+01  0.189756D+01  0.106015D+00 -0.230011D+01
      5  -0.530661D+01  0.116375D+00 -0.343174D+00  0.609598D+00  0.232520D+00
      6  -0.135159D+01  0.141204D+00 -0.143213D+00  0.204259D+01 -0.333224D+00
               116           117           118           119           120 
      1   0.505437D+00 -0.265755D+01  0.804972D+01  0.668697D+01 -0.530497D+00
      2  -0.787007D+00  0.996479D+00 -0.303969D+01 -0.266639D+01  0.810002D+00
      3   0.281569D+00  0.166107D+01 -0.501003D+01 -0.402058D+01 -0.279505D+00
      4  -0.153034D+01  0.357690D+00  0.780966D+01  0.564818D+01  0.430128D-02
      5   0.736257D+00 -0.329924D+00 -0.892773D+00  0.924808D-01  0.210660D+01
      6   0.298252D+01 -0.367879D+00 -0.337397D+00  0.247525D+00  0.113654D+01
               121           122           123           124           125 
      1   0.212239D+02  0.404930D+01  0.175218D+01 -0.296981D+01 -0.114075D+00
      2  -0.116960D+02 -0.578250D+00 -0.184993D+01  0.176848D+01 -0.146073D-01
      3  -0.952793D+01 -0.347105D+01  0.977469D-01  0.120132D+01  0.128682D+00
      4   0.876161D+01  0.239574D+02 -0.109567D+01  0.282119D+00 -0.181735D+01
      5   0.228083D+01 -0.151603D+01  0.517691D+01  0.431207D+01  0.306272D+01
      6   0.132882D+01  0.938065D+00  0.441711D+00  0.806653D+00  0.178340D+01
               126           127           128           129           130 
      1   0.149603D+01 -0.522889D+01  0.867852D+01 -0.107605D+01  0.622112D+01
      2  -0.151163D+01  0.459728D+01 -0.120551D+02 -0.424965D+00 -0.575259D+01
      3   0.156066D-01  0.631608D+00  0.337663D+01  0.150101D+01 -0.468525D+00
      4   0.316857D+01 -0.575197D+01 -0.995954D+00  0.152123D+01  0.489464D+01
      5  -0.966339D-01  0.117453D+01 -0.760620D+00 -0.139894D+01 -0.110071D+01
      6   0.576071D+00  0.159227D+01  0.247941D+01 -0.193344D+01 -0.708215D+00
               131           132           133           134           135 
      1  -0.183631D+02  0.297997D+00  0.228902D+01 -0.208042D+01 -0.287051D+01
      2   0.275739D+02  0.634645D+00 -0.133533D+01  0.322566D+01  0.292306D+01
      3  -0.921084D+01 -0.932642D+00 -0.953689D+00 -0.114524D+01 -0.525571D-01
      4   0.463708D+01 -0.802172D+00  0.133292D+01  0.169653D+01  0.184494D+00
      5   0.645996D+00  0.187117D+01  0.104544D+01  0.743855D+00  0.136914D+01
      6  -0.203711D+01  0.481104D+01 -0.230287D+00  0.471590D+01  0.520960D-02
               136           137           138           139           140 
      1   0.143345D+02  0.266867D+01  0.287608D+01 -0.400424D+01  0.351260D+01
      2  -0.449674D+01 -0.842511D+01 -0.256231D+00  0.252924D+00 -0.607377D+00
      3  -0.983777D+01  0.575644D+01 -0.261985D+01  0.375132D+01 -0.290523D+01
      4  -0.181100D+02  0.154159D+02 -0.271094D+00  0.602460D+01 -0.418369D+01
      5  -0.698930D+00  0.193527D+01  0.335401D+01 -0.518285D+00  0.118414D+01
      6  -0.129575D+01 -0.172813D+01 -0.508067D+01  0.984166D-01 -0.110343D+01
               141           142           143           144 
      1   0.449965D+00  0.149678D+01  0.304061D+01  0.113066D+01
      2  -0.300495D+00 -0.478991D+00 -0.413160D+01 -0.123264D+01
      3  -0.149470D+00 -0.101779D+01  0.109099D+01  0.101984D+00
      4   0.122859D+01 -0.441810D+01  0.386583D+01 -0.325414D+01
      5  -0.189559D+01  0.374484D+01 -0.224507D+01  0.721955D+00
      6   0.954187D+00 -0.230456D+01  0.256693D+01 -0.215176D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.793648D+00      0.201725D+01      0.672883D+01
   y          0.105583D+01      0.268365D+01      0.895170D+01
   z         -0.116624D-01     -0.296428D-01     -0.988779D-01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.808764D+02      0.119846D+02      0.133347D+02
   yx         0.114689D-01      0.169951D-02      0.189096D-02
   yy         0.721132D+02      0.106861D+02      0.118899D+02
   zx         0.228734D+01      0.338950D+00      0.377132D+00
   zy        -0.423095D+00     -0.626962D-01     -0.697589D-01
   zz         0.478162D+02      0.708562D+01      0.788382D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.744387D+02      0.110307D+02      0.122733D+02
   aniso      0.314309D+02      0.465757D+01      0.518225D+01
   xx         0.891159D+02      0.132056D+02      0.146932D+02
   yx         0.762505D-01      0.112992D-01      0.125720D-01
   yy         0.797913D+02      0.118238D+02      0.131558D+02
   zx         0.253414D+01      0.375521D+00      0.417823D+00
   zy        -0.493388D+00     -0.731125D-01     -0.813486D-01
   zz         0.544090D+02      0.806259D+01      0.897084D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.48815649         -1.85396287          0.89216674
     8          2.95920301         -2.55521649         -1.23745182
     8          3.34293092         -3.05261297          2.90597208
     6          0.83814839          0.44583491          1.41492448
     6         -1.73062208          0.20630954          0.00596100
     6         -1.60335814          1.25212253         -2.70290523
     8         -3.04286996          2.91322072         -3.31187013
     8          0.45760161          0.63298813          4.04597858
     8         -3.55445576          1.56904693          1.36877920
     8          0.09045969          0.27990378         -4.24778223
     1          1.85692557          2.11313757          0.72126523
     1         -2.28252787         -1.78795564         -0.07485028
     1          1.21976619         -0.93469712         -3.36241776
     1          2.63364914         -2.21202011          4.39122487
     1         -1.19586185          1.39344146          4.28667708
     1         -4.20885744          2.82763477          0.18821163

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.132091D+01      0.335741D+01      0.111991D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.648832D+02      0.961469D+01      0.106978D+02
   yx        -0.149333D+02     -0.221289D+01     -0.246217D+01
   yy         0.606550D+02      0.898815D+01      0.100007D+02
   zx         0.258395D+01      0.382902D+00      0.426036D+00
   zy        -0.354179D+01     -0.524839D+00     -0.583962D+00
   zz         0.752676D+02      0.111535D+02      0.124099D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.744387D+02      0.110307D+02      0.122733D+02
   aniso      0.314309D+02      0.465757D+01      0.518225D+01
   xx         0.721270D+02      0.106881D+02      0.118921D+02
   yx        -0.156634D+02     -0.232107D+01     -0.258254D+01
   yy         0.679804D+02      0.100737D+02      0.112084D+02
   zx         0.274970D+01      0.407463D+00      0.453364D+00
   zy        -0.379649D+01     -0.562581D+00     -0.625956D+00
   zz         0.832088D+02      0.123303D+02      0.137193D+02

 ----------------------------------------------------------------------
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 E PUR SI MUOVE    -- GALILEO GALILEI
 Job cpu time:       0 days  6 hours 18 minutes  7.1 seconds.
 Elapsed time:       0 days  0 hours 47 minutes 23.5 seconds.
 File lengths (MBytes):  RWF=    514 Int=      0 D2E=      0 Chk=     16 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 18:59:29 2021.
